Secondary metabolite:Ethyl oleate



Chemical descriptors


ToolDescriptorDescriptionDescriptor classTypeResult
PaDELnAcidNumber of acidic groups. The list of acidic groups is defined by these SMARTS $([O;H1]-[C,S,P]=O), $([*;-;!$(*~[*;+])]), $([NH](S(=O)=O)C(F)(F)F), and $(n1nnnc1) originally presented in JOELibAcidic Group Count descriptor2D0
PaDELALogPGhose-Crippen LogKowALOGP descriptor2D-1.841
PaDELALogp2Square of AlogPALOGP descriptor2D3.39
PaDELAMRMolar refractivityALOGP descriptor2D77.98
PaDELapolSum of the atomic polarizabilities (including implicit hydrogens)APol descriptor2D62.142
PaDELnaAromAtomNumber of aromatic atomsAromatic Atoms Count descriptor2D0
PaDELnAromBondNumber of aromatic bondsAromatic Bonds Count descriptor2D0
PaDELnAtomNumber of atomsAtom Count descriptor2D60
PaDELnHeavyAtomNumber of heavy atoms (i.e. not hydrogen)Atom Count descriptor2D22
PaDELnHNumber of hydrogen atomsAtom Count descriptor2D38
PaDELnBNumber of boron atomsAtom Count descriptor2D0
PaDELnCNumber of carbon atomsAtom Count descriptor2D20
PaDELnNNumber of nitrogen atomsAtom Count descriptor2D0
PaDELnONumber of oxygen atomsAtom Count descriptor2D2
PaDELnSNumber of sulphur atomsAtom Count descriptor2D0
PaDELnPNumber of phosphorus atomsAtom Count descriptor2D0
PaDELnFNumber of Fluorine AtomsConstitutional descriptor1D0
PaDELnClNumber of chlorine atomsAtom Count descriptor2D0
PaDELnBrNumber of bromine atomsAtom Count descriptor2D0
PaDELnINumber of iodine atomsAtom Count descriptor2D0
PaDELnXNumber of halogen atoms (F, Cl, Br, I, At, Uus)Atom Count descriptor2D0
PaDELATS0mBroto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D3435.829
PaDELATS1mBroto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D3633.315
PaDELATS2mBroto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D4161.823
PaDELATS3mBroto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D3946.447
PaDELATS4mBroto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D3786.987
PaDELATS5mBroto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D3442.471
PaDELATS6mBroto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D3203.43
PaDELATS7mBroto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D3006.673
PaDELATS8mBroto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D2809.917
PaDELATS0vBroto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D10084.302
PaDELATS1vBroto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D12891.484
PaDELATS2vBroto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D16943.242
PaDELATS3vBroto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D17701.448
PaDELATS4vBroto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D16968.733
PaDELATS5vBroto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D16095.027
PaDELATS6vBroto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D15028.69
PaDELATS7vBroto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D14021.892
PaDELATS8vBroto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D13015.094
PaDELATS0eBroto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D432.815
PaDELATS1eBroto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D436.301
PaDELATS2eBroto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D815.671
PaDELATS3eBroto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1095.464
PaDELATS4eBroto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1011.667
PaDELATS5eBroto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D989.329
PaDELATS6eBroto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D938.341
PaDELATS7eBroto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D875.456
PaDELATS8eBroto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D812.571
PaDELATS0pBroto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D73.96
PaDELATS1pBroto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D96.533
PaDELATS2pBroto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D138.2
PaDELATS3pBroto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D151.999
PaDELATS4pBroto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D144.898
PaDELATS5pBroto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D139.077
PaDELATS6pBroto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D131.119
PaDELATS7pBroto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D122.098
PaDELATS8pBroto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D113.076
PaDELATS0iBroto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D9933.66
PaDELATS1iBroto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D8560.985
PaDELATS2iBroto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D17466.958
PaDELATS3iBroto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D25271.947
PaDELATS4iBroto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D23078.997
PaDELATS5iBroto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D22677.798
PaDELATS6iBroto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D21752.796
PaDELATS7iBroto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D20273.841
PaDELATS8iBroto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D18794.886
PaDELATS0sBroto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D151.778
PaDELATS1sBroto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D129.25
PaDELATS2sBroto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D225.083
PaDELATS3sBroto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D263.25
PaDELATS4sBroto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D258.333
PaDELATS5sBroto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D246.583
PaDELATS6sBroto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D219.333
PaDELATS7sBroto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D207.083
PaDELATS8sBroto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D195.167
PaDELAATS0mAverage Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D57.264
PaDELAATS1mAverage Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D61.582
PaDELAATS2mAverage Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D37.159
PaDELAATS3mAverage Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D25.794
PaDELAATS4mAverage Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D26.858
PaDELAATS5mAverage Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D24.945
PaDELAATS6mAverage Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D24.268
PaDELAATS7mAverage Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D24.444
PaDELAATS8mAverage Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D24.648
PaDELAATS0vAverage Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D168.072
PaDELAATS1vAverage Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D218.5
PaDELAATS2vAverage Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D151.279
PaDELAATS3vAverage Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D115.696
PaDELAATS4vAverage Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D120.346
PaDELAATS5vAverage Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D116.631
PaDELAATS6vAverage Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D113.854
PaDELAATS7vAverage Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D113.999
PaDELAATS8vAverage Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D114.167
PaDELAATS0eAverage Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.214
PaDELAATS1eAverage Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.395
PaDELAATS2eAverage Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.283
PaDELAATS3eAverage Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.16
PaDELAATS4eAverage Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.175
PaDELAATS5eAverage Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.169
PaDELAATS6eAverage Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.109
PaDELAATS7eAverage Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.118
PaDELAATS8eAverage Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.128
PaDELAATS0pAverage Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D1.233
PaDELAATS1pAverage Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.636
PaDELAATS2pAverage Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.234
PaDELAATS3pAverage Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.993
PaDELAATS4pAverage Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.028
PaDELAATS5pAverage Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D1.008
PaDELAATS6pAverage Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.993
PaDELAATS7pAverage Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.993
PaDELAATS8pAverage Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.992
PaDELAATS0iAverage Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D165.561
PaDELAATS1iAverage Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D145.101
PaDELAATS2iAverage Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D155.955
PaDELAATS3iAverage Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D165.176
PaDELAATS4iAverage Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D163.681
PaDELAATS5iAverage Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D164.332
PaDELAATS6iAverage Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D164.794
PaDELAATS7iAverage Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D164.828
PaDELAATS8iAverage Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D164.867
PaDELAATS0sAverage Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D2.53
PaDELAATS1sAverage Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D2.191
PaDELAATS2sAverage Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D2.01
PaDELAATS3sAverage Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D1.721
PaDELAATS4sAverage Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.832
PaDELAATS5sAverage Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.787
PaDELAATS6sAverage Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.662
PaDELAATS7sAverage Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D1.684
PaDELAATS8sAverage Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D1.712
PaDELATSC0cCentered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.335
PaDELATSC1cCentered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.162
PaDELATSC2cCentered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.026
PaDELATSC3cCentered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0.026
PaDELATSC4cCentered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.004
PaDELATSC5cCentered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.015
PaDELATSC6cCentered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.005
PaDELATSC7cCentered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.002
PaDELATSC8cCentered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.02
PaDELATSC0mCentered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D1828.764
PaDELATSC1mCentered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-19.465
PaDELATSC2mCentered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-529.144
PaDELATSC3mCentered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D91.726
PaDELATSC4mCentered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-129.417
PaDELATSC5mCentered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-238.262
PaDELATSC6mCentered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-0.989
PaDELATSC7mCentered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-3.237
PaDELATSC8mCentered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-5.484
PaDELATSC0vCentered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D2980.28
PaDELATSC1vCentered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-150.98
PaDELATSC2vCentered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-1223.558
PaDELATSC3vCentered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D259.128
PaDELATSC4vCentered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-175.752
PaDELATSC5vCentered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-224.344
PaDELATSC6vCentered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D4.687
PaDELATSC7vCentered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D3.853
PaDELATSC8vCentered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D3.018
PaDELATSC0eCentered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D2.279
PaDELATSC1eCentered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.057
PaDELATSC2eCentered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.817
PaDELATSC3eCentered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.185
PaDELATSC4eCentered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.194
PaDELATSC5eCentered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.337
PaDELATSC6eCentered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.049
PaDELATSC7eCentered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.061
PaDELATSC8eCentered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.072
PaDELATSC0pCentered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D13.273
PaDELATSC1pCentered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-1.018
PaDELATSC2pCentered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-5.622
PaDELATSC3pCentered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.312
PaDELATSC4pCentered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.687
PaDELATSC5pCentered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.474
PaDELATSC6pCentered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.008
PaDELATSC7pCentered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.008
PaDELATSC8pCentered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.008
PaDELATSC0iCentered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D72.954
PaDELATSC1iCentered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-6.108
PaDELATSC2iCentered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-30.356
PaDELATSC3iCentered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D7.298
PaDELATSC4iCentered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-3.64
PaDELATSC5iCentered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-1.777
PaDELATSC6iCentered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.003
PaDELATSC7iCentered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0.003
PaDELATSC8iCentered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.003
PaDELATSC0sCentered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D43.326
PaDELATSC1sCentered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.617
PaDELATSC2sCentered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D11.197
PaDELATSC3sCentered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-2.009
PaDELATSC4sCentered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-2.399
PaDELATSC5sCentered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-8.144
PaDELATSC6sCentered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-1.873
PaDELATSC7sCentered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-2.157
PaDELATSC8sCentered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-2.108
PaDELAATSC0cAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.006
PaDELAATSC1cAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.003
PaDELAATSC2cAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC3cAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC4cAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC5cAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC6cAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC7cAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC8cAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC0mAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D30.479
PaDELAATSC1mAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-0.33
PaDELAATSC2mAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-4.725
PaDELAATSC3mAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D0.6
PaDELAATSC4mAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-0.918
PaDELAATSC5mAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-1.727
PaDELAATSC6mAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-0.007
PaDELAATSC7mAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-0.026
PaDELAATSC8mAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-0.048
PaDELAATSC0vAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D49.671
PaDELAATSC1vAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-2.559
PaDELAATSC2vAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-10.925
PaDELAATSC3vAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D1.694
PaDELAATSC4vAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-1.246
PaDELAATSC5vAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-1.626
PaDELAATSC6vAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.036
PaDELAATSC7vAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D0.031
PaDELAATSC8vAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0.026
PaDELAATSC0eAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.038
PaDELAATSC1eAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.001
PaDELAATSC2eAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.007
PaDELAATSC3eAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.001
PaDELAATSC4eAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.001
PaDELAATSC5eAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.002
PaDELAATSC6eAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0
PaDELAATSC7eAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0
PaDELAATSC8eAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.001
PaDELAATSC0pAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D0.221
PaDELAATSC1pAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.017
PaDELAATSC2pAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-0.05
PaDELAATSC3pAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.009
PaDELAATSC4pAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.005
PaDELAATSC5pAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.003
PaDELAATSC6pAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELAATSC7pAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELAATSC8pAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELAATSC0iAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D1.216
PaDELAATSC1iAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.104
PaDELAATSC2iAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-0.271
PaDELAATSC3iAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D0.048
PaDELAATSC4iAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.026
PaDELAATSC5iAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.013
PaDELAATSC6iAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELAATSC7iAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELAATSC8iAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELAATSC0sAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D0.722
PaDELAATSC1sAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.01
PaDELAATSC2sAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.1
PaDELAATSC3sAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.013
PaDELAATSC4sAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.017
PaDELAATSC5sAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.059
PaDELAATSC6sAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.014
PaDELAATSC7sAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.018
PaDELAATSC8sAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.018
PaDELMATS1cMoran autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.492
PaDELMATS2cMoran autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.042
PaDELMATS3cMoran autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0.031
PaDELMATS4cMoran autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.005
PaDELMATS5cMoran autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.019
PaDELMATS6cMoran autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.006
PaDELMATS7cMoran autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.003
PaDELMATS8cMoran autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.032
PaDELMATS1mMoran autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-0.011
PaDELMATS2mMoran autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-0.155
PaDELMATS3mMoran autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D0.02
PaDELMATS4mMoran autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-0.03
PaDELMATS5mMoran autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.057
PaDELMATS6mMoran autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-0
PaDELMATS7mMoran autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-0.001
PaDELMATS8mMoran autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-0.002
PaDELMATS1vMoran autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-0.052
PaDELMATS2vMoran autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-0.22
PaDELMATS3vMoran autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D0.034
PaDELMATS4vMoran autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-0.025
PaDELMATS5vMoran autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-0.033
PaDELMATS6vMoran autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.001
PaDELMATS7vMoran autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D0.001
PaDELMATS8vMoran autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0.001
PaDELMATS1eMoran autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.025
PaDELMATS2eMoran autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.192
PaDELMATS3eMoran autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.032
PaDELMATS4eMoran autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.036
PaDELMATS5eMoran autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.064
PaDELMATS6eMoran autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.01
PaDELMATS7eMoran autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.013
PaDELMATS8eMoran autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.017
PaDELMATS1pMoran autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.078
PaDELMATS2pMoran autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-0.227
PaDELMATS3pMoran autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.039
PaDELMATS4pMoran autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.022
PaDELMATS5pMoran autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.016
PaDELMATS6pMoran autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELMATS7pMoran autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELMATS8pMoran autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELMATS1iMoran autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.085
PaDELMATS2iMoran autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-0.223
PaDELMATS3iMoran autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D0.039
PaDELMATS4iMoran autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.021
PaDELMATS5iMoran autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.011
PaDELMATS6iMoran autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELMATS7iMoran autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELMATS8iMoran autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0
PaDELMATS1sMoran autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.014
PaDELMATS2sMoran autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.138
PaDELMATS3sMoran autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.018
PaDELMATS4sMoran autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.024
PaDELMATS5sMoran autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.082
PaDELMATS6sMoran autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.02
PaDELMATS7sMoran autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.024
PaDELMATS8sMoran autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.026
PaDELGATS1cGeary autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D1.572
PaDELGATS2cGeary autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D1.001
PaDELGATS3cGeary autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D1.054
PaDELGATS4cGeary autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.987
PaDELGATS5cGeary autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D0.901
PaDELGATS6cGeary autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.766
PaDELGATS7cGeary autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.807
PaDELGATS8cGeary autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.889
PaDELGATS1mGeary autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1.271
PaDELGATS2mGeary autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D1.257
PaDELGATS3mGeary autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D0.95
PaDELGATS4mGeary autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D1.018
PaDELGATS5mGeary autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D1.037
PaDELGATS6mGeary autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.942
PaDELGATS7mGeary autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D0.948
PaDELGATS8mGeary autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0.954
PaDELGATS1vGeary autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D1.453
PaDELGATS2vGeary autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D1.377
PaDELGATS3vGeary autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D0.933
PaDELGATS4vGeary autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D1.022
PaDELGATS5vGeary autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D1.016
PaDELGATS6vGeary autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.976
PaDELGATS7vGeary autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D0.974
PaDELGATS8vGeary autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0.973
PaDELGATS1eGeary autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.74
PaDELGATS2eGeary autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.733
PaDELGATS3eGeary autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1
PaDELGATS4eGeary autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.983
PaDELGATS5eGeary autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.029
PaDELGATS6eGeary autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.734
PaDELGATS7eGeary autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.778
PaDELGATS8eGeary autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.829
PaDELGATS1pGeary autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.526
PaDELGATS2pGeary autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.404
PaDELGATS3pGeary autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.926
PaDELGATS4pGeary autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.021
PaDELGATS5pGeary autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.999
PaDELGATS6pGeary autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.976
PaDELGATS7pGeary autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.974
PaDELGATS8pGeary autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.973
PaDELGATS1iGeary autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D1.538
PaDELGATS2iGeary autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D1.402
PaDELGATS3iGeary autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D0.925
PaDELGATS4iGeary autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D1.02
PaDELGATS5iGeary autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.994
PaDELGATS6iGeary autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.972
PaDELGATS7iGeary autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.971
PaDELGATS8iGeary autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.97
PaDELGATS1sGeary autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.604
PaDELGATS2sGeary autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.532
PaDELGATS3sGeary autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.857
PaDELGATS4sGeary autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.165
PaDELGATS5sGeary autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.247
PaDELGATS6sGeary autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.741
PaDELGATS7sGeary autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D0.79
PaDELGATS8sGeary autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.842
PaDELSpAbs_DzZGraph energy from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D306.439
PaDELSpMax_DzZLeading eigenvalue from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D153.47
PaDELSpDiam_DzZSpectral diameter from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D244.67
PaDELSpAD_DzZSpectral absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D306.894
PaDELSpMAD_DzZSpectral mean absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D13.95
PaDELEE_DzZEstrada-like index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D153.47
PaDELSM1_DzZSpectral moment of order 1 from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.5
PaDELVE1_DzZCoefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.087
PaDELVE2_DzZAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.004
PaDELVE3_DzZLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D-5.382
PaDELVR1_DzZRandic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D194.664
PaDELVR2_DzZNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D8.848
PaDELVR3_DzZLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D11.597
PaDELSpAbs_DzmGraph energy from Barysz matrix / weighted by massBarysz Matrix descriptor2D306.457
PaDELSpMax_DzmLeading eigenvalue from Barysz matrix / weighted by massBarysz Matrix descriptor2D153.478
PaDELSpDiam_DzmSpectral diameter from Barysz matrix / weighted by massBarysz Matrix descriptor2D244.679
PaDELSpAD_DzmSpectral absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D306.91
PaDELSpMAD_DzmSpectral mean absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D13.95
PaDELEE_DzmEstrada-like index from Barysz matrix / weighted by massBarysz Matrix descriptor2D153.478
PaDELSM1_DzmSpectral moment of order 1 from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.499
PaDELVE1_DzmCoefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.086
PaDELVE2_DzmAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.004
PaDELVE3_DzmLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D-5.385
PaDELVR1_DzmRandic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D194.659
PaDELVR2_DzmNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D8.848
PaDELVR3_DzmLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D11.597
PaDELSpAbs_DzvGraph energy from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D322.37
PaDELSpMax_DzvLeading eigenvalue from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D160.786
PaDELSpDiam_DzvSpectral diameter from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D253.426
PaDELSpAD_DzvSpectral absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D321.645
PaDELSpMAD_DzvSpectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D14.62
PaDELEE_DzvEstrada-like index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D160.786
PaDELSM1_DzvSpectral moment of order 1 from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-0.798
PaDELVE1_DzvCoefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.004
PaDELVE2_DzvAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0
PaDELVE3_DzvLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-12.395
PaDELVR1_DzvRandic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D200.403
PaDELVR2_DzvNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D9.109
PaDELVR3_DzvLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D11.661
PaDELSpAbs_DzeGraph energy from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D306.475
PaDELSpMax_DzeLeading eigenvalue from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D153.486
PaDELSpDiam_DzeSpectral diameter from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D244.689
PaDELSpAD_DzeSpectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D306.927
PaDELSpMAD_DzeSpectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D13.951
PaDELEE_DzeEstrada-like index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D153.486
PaDELSM1_DzeSpectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.497
PaDELVE1_DzeCoefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.086
PaDELVE2_DzeAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.004
PaDELVE3_DzeLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D-5.388
PaDELVR1_DzeRandic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D194.654
PaDELVR2_DzeNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D8.848
PaDELVR3_DzeLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D11.597
PaDELSpAbs_DzpGraph energy from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D339.718
PaDELSpMax_DzpLeading eigenvalue from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D168.777
PaDELSpDiam_DzpSpectral diameter from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D263.269
PaDELSpAD_DzpSpectral absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D337.75
PaDELSpMAD_DzpSpectral mean absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D15.352
PaDELEE_DzpEstrada-like index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D168.777
PaDELSM1_DzpSpectral moment of order 1 from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-2.165
PaDELVE1_DzpCoefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.103
PaDELVE2_DzpAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.005
PaDELVE3_DzpLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-5.009
PaDELVR1_DzpRandic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D271.195
PaDELVR2_DzpNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D12.327
PaDELVR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D12.326
PaDELSpAbs_DziGraph energy from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D308.294
PaDELSpMax_DziLeading eigenvalue from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D154.32
PaDELSpDiam_DziSpectral diameter from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D245.676
PaDELSpAD_DziSpectral absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D308.609
PaDELSpMAD_DziSpectral mean absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D14.028
PaDELEE_DziEstrada-like index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D154.32
PaDELSM1_DziSpectral moment of order 1 from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.346
PaDELVE1_DziCoefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.076
PaDELVE2_DziAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.003
PaDELVE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D-5.667
PaDELVR1_DziRandic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D194.267
PaDELVR2_DziNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D8.83
PaDELVR3_DziLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D11.592
PaDELSpAbs_DzsGraph energy from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D321.548
PaDELSpMax_DzsLeading eigenvalue from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D160.9
PaDELSpDiam_DzsSpectral diameter from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D257.747
PaDELSpAD_DzsSpectral absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D322.31
PaDELSpMAD_DzsSpectral mean absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D14.65
PaDELEE_DzsEstrada-like index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D160.9
PaDELSM1_DzsSpectral moment of order 1 from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D1.046
PaDELVE1_DzsCoefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.118
PaDELVE2_DzsAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.005
PaDELVE3_DzsLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D-4.705
PaDELVR1_DzsRandic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D194.287
PaDELVR2_DzsNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D8.831
PaDELVR3_DzsLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D11.593
PaDELnBaseNumber of basic groups. The list of basic groups is defined by this SMARTS [$([NH2]-[CX4])], [$([NH](-[CX4])-[CX4])], [$(N(-[CX4])(-[CX4])-[CX4])], [$([*;+;!$(*~[*;-])])], [$(N=C-N)], and [$(N-C=N)] originally presented in JOELibBasic Group Count descriptor2D0
PaDELBCUTw-1lnhigh lowest atom weighted BCUTSBCUT descriptor2D11.89
PaDELBCUTw-1hnlow highest atom weighted BCUTSBCUT descriptor2D15.996
PaDELBCUTc-1lnhigh lowest partial charge weighted BCUTSBCUT descriptor2D-0.316
PaDELBCUTc-1hnlow highest partial charge weighted BCUTSBCUT descriptor2D0.262
PaDELBCUTp-1lnhigh lowest polarizability weighted BCUTSBCUT descriptor2D4.194
PaDELBCUTp-1hnlow highest polarizability weighted BCUTSBCUT descriptor2D7.802
PaDELnBondsNumber of bondsPaDEL Bond Count descriptor2D21
PaDELnBonds2Total number of bonds (including bonds to hydrogens)PaDEL Bond Count descriptor2D59
PaDELnBondsSNumber of single bonds (including bonds with hydrogen)PaDEL Bond Count descriptor2D57
PaDELnBondsS2Total number of single bondsPaDEL Bond Count descriptor2D57
PaDELnBondsS3Total number of single bondsPaDEL Bond Count descriptor2D19
PaDELnBondsDNumber of double bondsPaDEL Bond Count descriptor2D2
PaDELnBondsD2Total number of double bondsPaDEL Bond Count descriptor2D2
PaDELnBondsTNumber of triple bondsPaDEL Bond Count descriptor2D0
PaDELnBondsQNumber of quadruple bondsPaDEL Bond Count descriptor2D0
PaDELnBondsMTotal number of bonds that have bond order greater than one (aromatic bonds have bond order 1.5).PaDEL Bond Count descriptor2D2
PaDELbpolSum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens)BPol descriptor2D44.416
PaDELSpMax1_BhmLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D3.591
PaDELSpMax2_BhmLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D3.548
PaDELSpMax3_BhmLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D3.452
PaDELSpMax4_BhmLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D3.331
PaDELSpMax5_BhmLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D3.175
PaDELSpMax6_BhmLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D3.043
PaDELSpMax7_BhmLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D2.891
PaDELSpMax8_BhmLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D2.716
PaDELSpMin1_BhmSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D1.947
PaDELSpMin2_BhmSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D1.905
PaDELSpMin3_BhmSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D1.815
PaDELSpMin4_BhmSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D1.721
PaDELSpMin5_BhmSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D1.649
PaDELSpMin6_BhmSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D1.565
PaDELSpMin7_BhmSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D1.429
PaDELSpMin8_BhmSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D1.277
PaDELSpMax1_BhvLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.604
PaDELSpMax2_BhvLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.526
PaDELSpMax3_BhvLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.45
PaDELSpMax4_BhvLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.313
PaDELSpMax5_BhvLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.184
PaDELSpMax6_BhvLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.064
PaDELSpMax7_BhvLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.899
PaDELSpMax8_BhvLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.725
PaDELSpMin1_BhvSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.893
PaDELSpMin2_BhvSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.85
PaDELSpMin3_BhvSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.768
PaDELSpMin4_BhvSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.68
PaDELSpMin5_BhvSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.596
PaDELSpMin6_BhvSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.494
PaDELSpMin7_BhvSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.36
PaDELSpMin8_BhvSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.208
PaDELSpMax1_BheLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.715
PaDELSpMax2_BheLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.664
PaDELSpMax3_BheLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.59
PaDELSpMax4_BheLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.479
PaDELSpMax5_BheLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.355
PaDELSpMax6_BheLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.239
PaDELSpMax7_BheLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.091
PaDELSpMax8_BheLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.931
PaDELSpMin1_BheSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.732
PaDELSpMin2_BheSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.668
PaDELSpMin3_BheSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.585
PaDELSpMin4_BheSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.461
PaDELSpMin5_BheSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.355
PaDELSpMin6_BheSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.261
PaDELSpMin7_BheSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.102
PaDELSpMin8_BheSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.933
PaDELSpMax1_BhpLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.621
PaDELSpMax2_BhpLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.541
PaDELSpMax3_BhpLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.462
PaDELSpMax4_BhpLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.32
PaDELSpMax5_BhpLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.196
PaDELSpMax6_BhpLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.088
PaDELSpMax7_BhpLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.921
PaDELSpMax8_BhpLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.745
PaDELSpMin1_BhpSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.86
PaDELSpMin2_BhpSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.819
PaDELSpMin3_BhpSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.746
PaDELSpMin4_BhpSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.656
PaDELSpMin5_BhpSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.558
PaDELSpMin6_BhpSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.45
PaDELSpMin7_BhpSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.318
PaDELSpMin8_BhpSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.168
PaDELSpMax1_BhiLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.765
PaDELSpMax2_BhiLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.712
PaDELSpMax3_BhiLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.636
PaDELSpMax4_BhiLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.53
PaDELSpMax5_BhiLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.422
PaDELSpMax6_BhiLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.313
PaDELSpMax7_BhiLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.166
PaDELSpMax8_BhiLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.007
PaDELSpMin1_BhiSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.684
PaDELSpMin2_BhiSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.616
PaDELSpMin3_BhiSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.536
PaDELSpMin4_BhiSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.41
PaDELSpMin5_BhiSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.295
PaDELSpMin6_BhiSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.189
PaDELSpMin7_BhiSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.028
PaDELSpMin8_BhiSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.859
PaDELSpMax1_BhsLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D5.043
PaDELSpMax2_BhsLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.697
PaDELSpMax3_BhsLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.528
PaDELSpMax4_BhsLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.477
PaDELSpMax5_BhsLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.436
PaDELSpMax6_BhsLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.289
PaDELSpMax7_BhsLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.126
PaDELSpMax8_BhsLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.92
PaDELSpMin1_BhsSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.817
PaDELSpMin2_BhsSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.785
PaDELSpMin3_BhsSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.643
PaDELSpMin4_BhsSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.548
PaDELSpMin5_BhsSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.374
PaDELSpMin6_BhsSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.33
PaDELSpMin7_BhsSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.201
PaDELSpMin8_BhsSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.003
PaDELC1SP1Triply bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP1Triply bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP2Doubly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D1
PaDELC2SP2Doubly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D2
PaDELC3SP2Doubly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP3Singly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D3
PaDELC2SP3Singly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D14
PaDELC3SP3Singly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D0
PaDELC4SP3Singly bound carbon bound to four other carbonsPaDEL Carbon Types descriptor2D0
PaDELSCH-3Simple chain, order 3ChiChain descriptor2D0
PaDELSCH-4Simple chain, order 4ChiChain descriptor2D0
PaDELSCH-5Simple chain, order 5ChiChain descriptor2D0
PaDELSCH-6Simple chain, order 6ChiChain descriptor2D0
PaDELSCH-7Simple chain, order 7ChiChain descriptor2D0
PaDELVCH-3Valence chain, order 3ChiChain descriptor2D0
PaDELVCH-4Valence chain, order 4ChiChain descriptor2D0
PaDELVCH-5Valence chain, order 5ChiChain descriptor2D0
PaDELVCH-6Valence chain, order 6ChiChain descriptor2D0
PaDELVCH-7Valence chain, order 7ChiChain descriptor2D0
PaDELSC-3Simple cluster, order 3ChiCluster descriptor2D0.289
PaDELSC-4Simple cluster, order 4ChiCluster descriptor2D0
PaDELSC-5Simple cluster, order 5ChiCluster descriptor2D0
PaDELSC-6Simple cluster, order 6ChiCluster descriptor2D0
PaDELVC-3Valence cluster, order 3ChiCluster descriptor2D0.059
PaDELVC-4Valence cluster, order 4ChiCluster descriptor2D0
PaDELVC-5Valence cluster, order 5ChiCluster descriptor2D0
PaDELVC-6Valence cluster, order 6ChiCluster descriptor2D0
PaDELSPC-4Simple path cluster, order 4ChiPathCluster descriptor2D0.408
PaDELSPC-5Simple path cluster, order 5ChiPathCluster descriptor2D0.493
PaDELSPC-6Simple path cluster, order 6ChiPathCluster descriptor2D0.348
PaDELVPC-4Valence path cluster, order 4ChiPathCluster descriptor2D0.083
PaDELVPC-5Valence path cluster, order 5ChiPathCluster descriptor2D0.101
PaDELVPC-6Valence path cluster, order 6ChiPathCluster descriptor2D0.071
PaDELSP-0Simple path, order 0PaDEL ChiPath descriptor2D16.305
PaDELSP-1Simple path, order 1PaDEL ChiPath descriptor2D10.808
PaDELSP-2Simple path, order 2PaDEL ChiPath descriptor2D7.632
PaDELSP-3Simple path, order 3PaDEL ChiPath descriptor2D5.082
PaDELSP-4Simple path, order 4PaDEL ChiPath descriptor2D3.501
PaDELSP-5Simple path, order 5PaDEL ChiPath descriptor2D2.147
PaDELSP-6Simple path, order 6PaDEL ChiPath descriptor2D1.43
PaDELSP-7Simple path, order 7PaDEL ChiPath descriptor2D0.948
PaDELASP-0Average simple path, order 0PaDEL ChiPath descriptor2D0.741
PaDELASP-1Average simple path, order 1PaDEL ChiPath descriptor2D0.515
PaDELASP-2Average simple path, order 2PaDEL ChiPath descriptor2D0.363
PaDELASP-3Average simple path, order 3PaDEL ChiPath descriptor2D0.254
PaDELASP-4Average simple path, order 4PaDEL ChiPath descriptor2D0.184
PaDELASP-5Average simple path, order 5PaDEL ChiPath descriptor2D0.126
PaDELASP-6Average simple path, order 6PaDEL ChiPath descriptor2D0.089
PaDELASP-7Average simple path, order 7PaDEL ChiPath descriptor2D0.063
PaDELVP-0Valence path, order 0PaDEL ChiPath descriptor2D15.078
PaDELVP-1Valence path, order 1PaDEL ChiPath descriptor2D9.615
PaDELVP-2Valence path, order 2PaDEL ChiPath descriptor2D6.139
PaDELVP-3Valence path, order 3PaDEL ChiPath descriptor2D3.948
PaDELVP-4Valence path, order 4PaDEL ChiPath descriptor2D2.573
PaDELVP-5Valence path, order 5PaDEL ChiPath descriptor2D1.611
PaDELVP-6Valence path, order 6PaDEL ChiPath descriptor2D1.021
PaDELVP-7Valence path, order 7PaDEL ChiPath descriptor2D0.639
PaDELAVP-0Average valence path, order 0PaDEL ChiPath descriptor2D0.685
PaDELAVP-1Average valence path, order 1PaDEL ChiPath descriptor2D0.458
PaDELAVP-2Average valence path, order 2PaDEL ChiPath descriptor2D0.292
PaDELAVP-3Average valence path, order 3PaDEL ChiPath descriptor2D0.197
PaDELAVP-4Average valence path, order 4PaDEL ChiPath descriptor2D0.135
PaDELAVP-5Average valence path, order 5PaDEL ChiPath descriptor2D0.095
PaDELAVP-6Average valence path, order 6PaDEL ChiPath descriptor2D0.064
PaDELAVP-7Average valence path, order 7PaDEL ChiPath descriptor2D0.043
PaDELSvSum of atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D31.724
PaDELSseSum of atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D58.53
PaDELSpeSum of atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D55.482
PaDELSareSum of atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D56.24
PaDELSpSum of atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D36.133
PaDELSiSum of first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D460.589
PaDELMvMean atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D0.529
PaDELMseMean atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D0.976
PaDELMpeMean atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D0.925
PaDELMareMean atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D0.937
PaDELMpMean atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D0.602
PaDELMiMean first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D7.676
PaDELCrippenLogPCrippen's LogPCrippen descriptor2D6.747
PaDELCrippenMRCrippen's molar refractivityCrippen descriptor2D99.058
PaDELSpMax_DtLeading eigenvalue from detour matrixDetour Matrix descriptor2D162.487
PaDELSpDiam_DtSpectral diameter from detour matrixDetour Matrix descriptor2D258.418
PaDELSpAD_DtSpectral absolute deviation from detour matrixDetour Matrix descriptor2D324.975
PaDELSpMAD_DtSpectral mean absolute deviation from detour matrixDetour Matrix descriptor2D14.772
PaDELEE_DtEstrada-like index from detour matrixDetour Matrix descriptor2D162.487
PaDELVE1_DtCoefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.064
PaDELVE2_DtAverage coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.003
PaDELVE3_DtLogarithmic coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D-6.061
PaDELVR1_DtRandic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D210.114
PaDELVR2_DtNormalized Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D9.551
PaDELVR3_DtLogarithmic Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D11.765
PaDELECCENA topological descriptor combining distance and adjacency informationEccentric Connectivity Index descriptor2D635
PaDELnHBdCount of E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnwHBdCount of E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnHBaCount of E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D2
PaDELnwHBaCount of E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D3
PaDELnHBint2Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELnHBint3Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELnHBint4Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELnHBint5Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELnHBint6Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELnHBint7Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELnHBint8Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELnHBint9Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELnHBint10Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELnHsOHCount of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELnHdNHCount of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnHsSHCount of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELnHsNH2Count of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnHssNHCount of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnHaaNHCount of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELnHsNH3pCount of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnHssNH2pCount of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELnHsssNHpCount of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELnHtCHCount of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELnHdCH2Count of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnHdsCHCount of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D2
PaDELnHaaCHCount of atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELnHCHnXCount of atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELnHCsatsCount of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D17
PaDELnHCsatuCount of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D3
PaDELnHAvinCount of atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELnHotherCount of atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D2
PaDELnHmiscCount of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELnsLiCount of atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELnssBeCount of atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELnssssBemCount of atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELnsBH2Count of atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELnssBHCount of atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELnsssBCount of atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELnssssBmCount of atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELnsCH3Count of atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D2
PaDELndCH2Count of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnssCH2Count of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D15
PaDELntCHCount of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELndsCHCount of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D2
PaDELnaaCHCount of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELnsssCHCount of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELnddCCount of atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELntsCCount of atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELndssCCount of atom-type E-State: =C<Electrotopological State Atom Type descriptor2D1
PaDELnaasCCount of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELnaaaCCount of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELnssssCCount of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELnsNH3pCount of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnsNH2Count of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnssNH2pCount of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELndNHCount of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnssNHCount of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnaaNHCount of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELntNCount of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELnsssNHpCount of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELndsNCount of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELnaaNCount of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELnsssNCount of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELnddsNCount of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELnaasNCount of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELnssssNpCount of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELnsOHCount of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELndOCount of atom-type E-State: =OElectrotopological State Atom Type descriptor2D1
PaDELnssOCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D1
PaDELnaaOCount of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELnaOmCount of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELnsOmCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELnsFCount of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELnsSiH3Count of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELnssSiH2Count of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSiHCount of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSiCount of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELnsPH2Count of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELnssPHCount of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELnsssPCount of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELndsssPCount of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELnddsPCount of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELnsssssPCount of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELnsSHCount of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELndSCount of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELnssSCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnaaSCount of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELndssSCount of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELnddssSCount of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELnssssssSCount of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELnSmCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnsClCount of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELnsGeH3Count of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELnssGeH2Count of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssGeHCount of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELnssssGeCount of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELnsAsH2Count of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELnssAsHCount of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELnsssAsCount of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELndsssAsCount of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELnddsAsCount of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELnsssssAsCount of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELnsSeHCount of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELndSeCount of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELnssSeCount of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELnaaSeCount of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELndssSeCount of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELnssssssSeCount of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELnddssSeCount of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELnsBrCount of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELnsSnH3Count of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELnssSnH2Count of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSnHCount of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSnCount of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELnsICount of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELnsPbH3Count of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELnssPbH2Count of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssPbHCount of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELnssssPbCount of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELSHBdSum of E-States for (strong) hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSwHBdSum of E-States for weak hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSHBaSum of E-States for (strong) hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D16.059
PaDELSwHBaSum of E-States for weak hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D4.672
PaDELSHBint2Sum of E-State descriptors of strength for potential hydrogen bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELSHBint3Sum of E-State descriptors of strength for potential hydrogen bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELSHBint4Sum of E-State descriptors of strength for potential hydrogen bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELSHBint5Sum of E-State descriptors of strength for potential hydrogen bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELSHBint6Sum of E-State descriptors of strength for potential hydrogen bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELSHBint7Sum of E-State descriptors of strength for potential hydrogen bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELSHBint8Sum of E-State descriptors of strength for potential hydrogen bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELSHBint9Sum of E-State descriptors of strength for potential hydrogen bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELSHBint10Sum of E-State descriptors of strength for potential hydrogen bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELSHsOHSum of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSHdNHSum of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSHsSHSum of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSHsNH2Sum of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSHssNHSum of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSHaaNHSum of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELSHsNH3pSum of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSHssNH2pSum of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSHsssNHpSum of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSHtCHSum of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSHdCH2Sum of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSHdsCHSum of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.511
PaDELSHaaCHSum of atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELSHCHnXSum of atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELSHCsatsSum of atom-type H E-State: H on C sp3 bonded to saturated CElectrotopological State Atom Type descriptor2D5.228
PaDELSHCsatuSum of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D1.149
PaDELSHAvinSum of atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELSHotherSum of atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D0.511
PaDELSHmiscSum of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELSsLiSum of atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELSssBeSum of atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELSssssBemSum of atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELSsBH2Sum of atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELSssBHSum of atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELSsssBSum of atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELSssssBmSum of atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELSsCH3Sum of atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D4.126
PaDELSdCH2Sum of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSssCH2Sum of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D17.81
PaDELStCHSum of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSdsCHSum of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D4.714
PaDELSaaCHSum of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELSsssCHSum of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELSddCSum of atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELStsCSum of atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELSdssCSum of atom-type E-State: =C<Electrotopological State Atom Type descriptor2D-0.042
PaDELSaasCSum of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELSaaaCSum of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELSssssCSum of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELSsNH3pSum of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSsNH2Sum of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSssNH2pSum of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSdNHSum of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSssNHSum of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSaaNHSum of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELStNSum of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELSsssNHpSum of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSdsNSum of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELSaaNSum of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELSsssNSum of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELSddsNSum of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELSaasNSum of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELSssssNpSum of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELSsOHSum of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSdOSum of atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.146
PaDELSssOSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.913
PaDELSaaOSum of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELSaOmSum of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELSsOmSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELSsFSum of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELSsSiH3Sum of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELSssSiH2Sum of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSiHSum of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSiSum of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELSsPH2Sum of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELSssPHSum of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELSsssPSum of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELSdsssPSum of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELSddsPSum of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELSsssssPSum of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELSsSHSum of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSdSSum of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELSssSSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSaaSSum of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELSdssSSum of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELSddssSSum of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELSssssssSSum of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELSSmSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSsClSum of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELSsGeH3Sum of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELSssGeH2Sum of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssGeHSum of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELSssssGeSum of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELSsAsH2Sum of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELSssAsHSum of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELSsssAsSum of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELSdsssAsSum of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELSddsAsSum of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELSsssssAsSum of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELSsSeHSum of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELSdSeSum of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELSssSeSum of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELSaaSeSum of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELSdssSeSum of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELSssssssSeSum of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELSddssSeSum of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELSsBrSum of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELSsSnH3Sum of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELSssSnH2Sum of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSnHSum of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSnSum of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELSsISum of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELSsPbH3Sum of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELSssPbH2Sum of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssPbHSum of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELSssssPbSum of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELminHBdMinimum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminwHBdMinimum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminHBaMinimum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D4.913
PaDELminwHBaMinimum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D-0.042
PaDELminHBint2Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELminHBint3Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELminHBint4Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELminHBint5Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELminHBint6Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELminHBint7Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELminHBint8Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELminHBint9Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELminHBint10Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELminHsOHMinimum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELminHdNHMinimum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminHsSHMinimum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELminHsNH2Minimum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminHssNHMinimum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminHaaNHMinimum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELminHsNH3pMinimum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminHssNH2pMinimum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELminHsssNHpMinimum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELminHtCHMinimum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELminHdCH2Minimum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminHdsCHMinimum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.254
PaDELminHaaCHMinimum atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminHCHnXMinimum atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELminHCsatsMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0.213
PaDELminHCsatuMinimum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.308
PaDELminHAvinMinimum atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELminHotherMinimum atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D0.254
PaDELminHmiscMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELminsLiMinimum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELminssBeMinimum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELminssssBemMinimum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELminsBH2Minimum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELminssBHMinimum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELminsssBMinimum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELminssssBmMinimum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELminsCH3Minimum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D1.859
PaDELmindCH2Minimum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminssCH2Minimum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.504
PaDELmintCHMinimum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmindsCHMinimum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D2.352
PaDELminaaCHMinimum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminsssCHMinimum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELminddCMinimum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmintsCMinimum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmindssCMinimum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D-0.042
PaDELminaasCMinimum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELminaaaCMinimum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELminssssCMinimum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELminsNH3pMinimum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminsNH2Minimum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminssNH2pMinimum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmindNHMinimum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminssNHMinimum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminaaNHMinimum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmintNMinimum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELminsssNHpMinimum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmindsNMinimum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELminaaNMinimum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELminsssNMinimum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELminddsNMinimum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELminaasNMinimum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELminssssNpMinimum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELminsOHMinimum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmindOMinimum atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.146
PaDELminssOMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.913
PaDELminaaOMinimum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELminaOmMinimum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELminsOmMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELminsFMinimum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELminsSiH3Minimum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELminssSiH2Minimum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSiHMinimum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSiMinimum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELminsPH2Minimum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELminssPHMinimum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELminsssPMinimum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmindsssPMinimum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELminddsPMinimum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELminsssssPMinimum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELminsSHMinimum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmindSMinimum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELminssSMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminaaSMinimum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmindssSMinimum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELminddssSMinimum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELminssssssSMinimum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELminSmMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminsClMinimum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELminsGeH3Minimum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELminssGeH2Minimum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssGeHMinimum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELminssssGeMinimum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELminsAsH2Minimum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELminssAsHMinimum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELminsssAsMinimum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmindsssAsMinimum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELminddsAsMinimum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELminsssssAsMinimum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELminsSeHMinimum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmindSeMinimum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELminssSeMinimum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELminaaSeMinimum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmindssSeMinimum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELminssssssSeMinimum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELminddssSeMinimum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELminsBrMinimum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELminsSnH3Minimum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELminssSnH2Minimum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSnHMinimum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSnMinimum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELminsIMinimum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELminsPbH3Minimum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELminssPbH2Minimum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssPbHMinimum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELminssssPbMinimum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELmaxHBdMaximum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxwHBdMaximum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxHBaMaximum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D11.146
PaDELmaxwHBaMaximum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D2.362
PaDELmaxHBint2Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint3Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint4Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint5Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint6Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint7Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint8Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint9Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint10Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELmaxHsOHMaximum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdNHMaximum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsSHMaximum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsNH2Maximum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNHMaximum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxHaaNHMaximum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxHsNH3pMaximum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNH2pMaximum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHsssNHpMaximum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHtCHMaximum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdCH2Maximum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHdsCHMaximum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.257
PaDELmaxHaaCHMaximum atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxHCHnXMaximum atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELmaxHCsatsMaximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0.56
PaDELmaxHCsatuMaximum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.519
PaDELmaxHAvinMaximum atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELmaxHotherMaximum atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D0.257
PaDELmaxHmiscMaximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELmaxsLiMaximum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELmaxssBeMaximum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBemMaximum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELmaxsBH2Maximum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssBHMaximum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssBMaximum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBmMaximum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELmaxsCH3Maximum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D2.267
PaDELmaxdCH2Maximum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssCH2Maximum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D1.413
PaDELmaxtCHMaximum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxdsCHMaximum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D2.362
PaDELmaxaaCHMaximum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssCHMaximum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELmaxddCMaximum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmaxtsCMaximum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmaxdssCMaximum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasCMaximum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaaCMaximum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELmaxssssCMaximum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH3pMaximum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH2Maximum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssNH2pMaximum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdNHMaximum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxssNHMaximum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNHMaximum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxtNMaximum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELmaxsssNHpMaximum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdsNMaximum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNMaximum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssNMaximum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELmaxddsNMaximum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasNMaximum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssNpMaximum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELmaxsOHMaximum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxdOMaximum atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.146
PaDELmaxssOMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.913
PaDELmaxaaOMaximum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELmaxaOmMaximum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELmaxsOmMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELmaxsFMaximum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELmaxsSiH3Maximum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssSiH2Maximum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssSiHMaximum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssSiMaximum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELmaxsPH2Maximum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssPHMaximum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssPMaximum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmaxdsssPMaximum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELmaxddsPMaximum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELmaxsssssPMaximum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELmaxsSHMaximum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmaxdSMaximum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELmaxssSMaximum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaSMaximum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmaxdssSMaximum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELmaxddssSMaximum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELmaxssssssSMaximum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELmaxSmMaximum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELmaxsClMaximum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELmaxsGeH3Maximum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssGeH2Maximum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssGeHMaximum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssGeMaximum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELmaxsAsH2Maximum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssAsHMaximum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssAsMaximum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmaxdsssAsMaximum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELmaxddsAsMaximum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELmaxsssssAsMaximum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELmaxsSeHMaximum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmaxdSeMaximum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELmaxssSeMaximum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaSeMaximum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmaxdssSeMaximum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELmaxssssssSeMaximum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELmaxddssSeMaximum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELmaxsBrMaximum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELmaxsSnH3Maximum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssSnH2Maximum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssSnHMaximum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssSnMaximum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELmaxsIMaximum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELmaxsPbH3Maximum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssPbH2Maximum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssPbHMaximum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssPbMaximum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELsumISum of the intrinsic state values IElectrotopological State Atom Type descriptor2D42.667
PaDELmeanIMean intrinsic state values IElectrotopological State Atom Type descriptor2D1.939
PaDELhmaxMaximum H E-StateElectrotopological State Atom Type descriptor2D0.56
PaDELgmaxMaximum E-StateElectrotopological State Atom Type descriptor2D11.146
PaDELhminMinimum H E-StateElectrotopological State Atom Type descriptor2D0.14
PaDELgminMinimum E-StateElectrotopological State Atom Type descriptor2D-0.042
PaDELLipoaffinityIndexLipoaffinity indexElectrotopological State Atom Type descriptor2D11.693
PaDELMAXDNMaximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D1.708
PaDELMAXDPMaximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D4.146
PaDELDELSSum of all atoms intrinsic state differences. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D13.078
PaDELMAXDN2Maximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D1.708
PaDELMAXDP2Maximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D4.146
PaDELDELS2Sum of all atoms intrinsic state differences. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D13.078
PaDELETA_AlphaSum of alpha values of all non-hydrogen vertices of a moleculeExtended Topochemical Atom descriptor2D10.667
PaDELETA_AlphaPSum of alpha values of all non-hydrogen vertices of a molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.485
PaDELETA_dAlpha_AA measure of count of non-hydrogen heteroatomsExtended Topochemical Atom descriptor2D0
PaDELETA_dAlpha_BA measure of count of hydrogen bond acceptor atoms and/or polar surface areaExtended Topochemical Atom descriptor2D0.015
PaDELETA_Epsilon_1A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.472
PaDELETA_Epsilon_2A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.77
PaDELETA_Epsilon_3A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.429
PaDELETA_Epsilon_4A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.467
PaDELETA_Epsilon_5A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.77
PaDELETA_dEpsilon_AA measure of contribution of unsaturation and electronegative atom countExtended Topochemical Atom descriptor2D0.043
PaDELETA_dEpsilon_BA measure of contribution of unsaturationExtended Topochemical Atom descriptor2D0.006
PaDELETA_dEpsilon_CA measure of contribution of electronegativityExtended Topochemical Atom descriptor2D-0.037
PaDELETA_dEpsilon_DA measure of contribution of hydrogen bond donor atomsExtended Topochemical Atom descriptor2D0
PaDELETA_Psi_1A measure of hydrogen bonding propensity of the molecules and/or polar surface areaExtended Topochemical Atom descriptor2D0.63
PaDELETA_dPsi_AA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0.084
PaDELETA_dPsi_BA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0
PaDELETA_Shape_PShape index PExtended Topochemical Atom descriptor2D0.125
PaDELETA_Shape_YShape index YExtended Topochemical Atom descriptor2D0.047
PaDELETA_Shape_XShape index XExtended Topochemical Atom descriptor2D0
PaDELETA_BetaA measure of electronic features of the moleculeExtended Topochemical Atom descriptor2D13.75
PaDELETA_BetaPA measure of electronic features of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.625
PaDELETA_Beta_sA measure of electronegative atom count of the moleculeExtended Topochemical Atom descriptor2D11.25
PaDELETA_BetaP_sA measure of electronegative atom count of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.511
PaDELETA_Beta_nsA measure of electron-richness of the moleculeExtended Topochemical Atom descriptor2D2.5
PaDELETA_BetaP_nsA measure of electron-richness of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.114
PaDELETA_dBetaA measure of relative unsaturation contentExtended Topochemical Atom descriptor2D-8.75
PaDELETA_dBetaPA measure of relative unsaturation content relative to molecular sizeExtended Topochemical Atom descriptor2D-0.398
PaDELETA_Beta_ns_dA measure of lone electrons entering into resonanceExtended Topochemical Atom descriptor2D0
PaDELETA_BetaP_ns_dA measure of lone electrons entering into resonance relative to molecular sizeExtended Topochemical Atom descriptor2D0
PaDELETA_EtaComposite index EtaExtended Topochemical Atom descriptor2D26.4
PaDELETA_EtaPComposite index Eta relative to molecular sizeExtended Topochemical Atom descriptor2D1.2
PaDELETA_Eta_RComposite index Eta for reference alkaneExtended Topochemical Atom descriptor2D31.969
PaDELETA_Eta_FFunctionality index EtaFExtended Topochemical Atom descriptor2D5.57
PaDELETA_EtaP_FFunctionality index EtaF relative to molecular sizeExtended Topochemical Atom descriptor2D0.253
PaDELETA_Eta_LLocal index Eta_localExtended Topochemical Atom descriptor2D9.186
PaDELETA_EtaP_LLocal index Eta_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.418
PaDELETA_Eta_R_LLocal index Eta_local for reference alkaneExtended Topochemical Atom descriptor2D10.808
PaDELETA_Eta_F_LLocal functionality contribution EtaF_localExtended Topochemical Atom descriptor2D1.622
PaDELETA_EtaP_F_LLocal functionality contribution EtaF_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.074
PaDELETA_Eta_BBranching index EtaBExtended Topochemical Atom descriptor2D0.106
PaDELETA_EtaP_BBranching index EtaB relative to molecular sizeExtended Topochemical Atom descriptor2D0.005
PaDELETA_Eta_B_RCBranching index EtaB (with ring correction)Extended Topochemical Atom descriptor2D0.106
PaDELETA_EtaP_B_RCBranching index EtaB (with ring correction) relative to molecular sizeExtended Topochemical Atom descriptor2D0.005
PaDELFMFComplexity of a moleculeFMF descriptor2D0
PaDELfragCComplexity of a systemPaDEL Fragment Complexity descriptor2D21.02
PaDELnHBAccNumber of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)PaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc2Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc3Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc_LipinskiNumber of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBDonNumber of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)PaDEL HBond Donor Count descriptor2D0
PaDELnHBDon_LipinskiNumber of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor)PaDEL HBond Donor Count descriptor2D0
PaDELHybRatioFraction of sp3 carbons to sp2 carbonsHybridization Ratio descriptor2D0.85
PaDELIC0Information content index (neighborhood symmetry of 0-order)Information Content descriptor2D1.109
PaDELIC1Information content index (neighborhood symmetry of 1-order)Information Content descriptor2D1.991
PaDELIC2Information content index (neighborhood symmetry of 2-order)Information Content descriptor2D3.215
PaDELIC3Information content index (neighborhood symmetry of 3-order)Information Content descriptor2D4.043
PaDELIC4Information content index (neighborhood symmetry of 4-order)Information Content descriptor2D4.471
PaDELIC5Information content index (neighborhood symmetry of 5-order)Information Content descriptor2D4.5
PaDELTIC0Total information content index (neighborhood symmetry of 0-order)Information Content descriptor2D66.554
PaDELTIC1Total information content index (neighborhood symmetry of 1-order)Information Content descriptor2D119.488
PaDELTIC2Total information content index (neighborhood symmetry of 2-order)Information Content descriptor2D192.88
PaDELTIC3Total information content index (neighborhood symmetry of 3-order)Information Content descriptor2D242.581
PaDELTIC4Total information content index (neighborhood symmetry of 4-order)Information Content descriptor2D268.274
PaDELTIC5Total information content index (neighborhood symmetry of 5-order)Information Content descriptor2D270.007
PaDELSIC0Structural information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.188
PaDELSIC1Structural information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.337
PaDELSIC2Structural information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.544
PaDELSIC3Structural information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.684
PaDELSIC4Structural information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.757
PaDELSIC5Structural information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.762
PaDELCIC0Complementary information content index (neighborhood symmetry of 0-order)Information Content descriptor2D4.798
PaDELCIC1Complementary information content index (neighborhood symmetry of 1-order)Information Content descriptor2D3.915
PaDELCIC2Complementary information content index (neighborhood symmetry of 2-order)Information Content descriptor2D2.692
PaDELCIC3Complementary information content index (neighborhood symmetry of 3-order)Information Content descriptor2D1.864
PaDELCIC4Complementary information content index (neighborhood symmetry of 4-order)Information Content descriptor2D1.436
PaDELCIC5Complementary information content index (neighborhood symmetry of 5-order)Information Content descriptor2D1.407
PaDELBIC0Bond information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.187
PaDELBIC1Bond information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.336
PaDELBIC2Bond information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.542
PaDELBIC3Bond information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.682
PaDELBIC4Bond information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.754
PaDELBIC5Bond information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.759
PaDELMIC0Modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D9.377
PaDELMIC1Modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D18.026
PaDELMIC2Modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D22.63
PaDELMIC3Modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D25.461
PaDELMIC4Modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D26.764
PaDELMIC5Modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D25.465
PaDELZMIC0Z-modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D81.875
PaDELZMIC1Z-modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D56.432
PaDELZMIC2Z-modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D44.439
PaDELZMIC3Z-modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D33.248
PaDELZMIC4Z-modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D28.48
PaDELZMIC5Z-modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D31.65
PaDELKier1First kappa shape indexKappaShape Indices descriptor2D22
PaDELKier2Second kappa shape indexKappaShape Indices descriptor2D19.048
PaDELKier3Third kappa (κ) shape indexKappaShape Indices descriptor2D19
PaDELnAtomLCNumber of atoms in the largest chainLargest Chain descriptor2D22
PaDELnAtomPNumber of atoms in the largest pi systemLargest Pi System descriptor2D3
PaDELnAtomLACNumber of atoms in the longest aliphatic chainLongest Aliphatic Chain descriptor2D18
PaDELMLogPMannhold LogPMannhold LogP descriptor2D3.44
PaDELMcGowan_VolumeMcGowan characteristic volumeMcGowan Volume descriptor2D2.958
PaDELMDEC-11Molecular distance edge between all primary carbonsMDE descriptor2D0.05
PaDELMDEC-12Molecular distance edge between all primary and secondary carbonsMDE descriptor2D4.192
PaDELMDEC-13Molecular distance edge between all primary and tertiary carbonsMDE descriptor2D0.28
PaDELMDEC-14Molecular distance edge between all primary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-22Molecular distance edge between all secondary carbonsMDE descriptor2D28.423
PaDELMDEC-23Molecular distance edge between all secondary and tertiary carbonsMDE descriptor2D2.686
PaDELMDEC-24Molecular distance edge between all secondary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-33Molecular distance edge between all tertiary carbonsMDE descriptor2D0
PaDELMDEC-34Molecular distance edge between all tertiary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-44Molecular distance edge between all quaternary carbonsMDE descriptor2D0
PaDELMDEO-11Molecular distance edge between all primary oxygensMDE descriptor2D0
PaDELMDEO-12Molecular distance edge between all primary and secondary oxygensMDE descriptor2D0.5
PaDELMDEO-22Molecular distance edge between all secondary oxygensMDE descriptor2D0
PaDELMDEN-11Molecular distance edge between all primary nitrogensMDE descriptor2D0
PaDELMDEN-12Molecular distance edge between all primary and secondary nitrogensMDE descriptor2D0
PaDELMDEN-13Molecular distance edge between all primary and tertiary niroqensMDE descriptor2D0
PaDELMDEN-22Molecular distance edge between all secondary nitroqensMDE descriptor2D0
PaDELMDEN-23Molecular distance edge between all secondary and tertiary nitrogensMDE descriptor2D0
PaDELMDEN-33Molecular distance edge between all tertiary nitrogensMDE descriptor2D0
PaDELMLFER_AOverall or summation solute hydrogen bond acidityMLFER descriptor2D0.003
PaDELMLFER_BHOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.446
PaDELMLFER_BOOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.43
PaDELMLFER_SCombined dipolarity/polarizabilityMLFER descriptor2D0.658
PaDELMLFER_EExcessive molar refractionMLFER descriptor2D0.216
PaDELMLFER_LSolute gas-hexadecane partition coefficientMLFER descriptor2D10.284
PaDELMPC2Molecular path count of order 2Path Count descriptor2D21
PaDELMPC3Molecular path count of order 3Path Count descriptor2D20
PaDELMPC4Molecular path count of order 4Path Count descriptor2D19
PaDELMPC5Molecular path count of order 5Path Count descriptor2D17
PaDELMPC6Molecular path count of order 6Path Count descriptor2D16
PaDELMPC7Molecular path count of order 7Path Count descriptor2D15
PaDELMPC8Molecular path count of order 8Path Count descriptor2D14
PaDELMPC9Molecular path count of order 9Path Count descriptor2D13
PaDELMPC10Molecular path count of order 10Path Count descriptor2D12
PaDELTPCTotal path count (up to order 10)Path Count descriptor2D190
PaDELpiPC1Conventional bond order ID number of order 1Path Count descriptor2D3.178
PaDELpiPC2Conventional bond order ID number of order 2Path Count descriptor2D3.258
PaDELpiPC3Conventional bond order ID number of order 3Path Count descriptor2D3.258
PaDELpiPC4Conventional bond order ID number of order 4Path Count descriptor2D3.258
PaDELpiPC5Conventional bond order ID number of order 5Path Count descriptor2D3.178
PaDELpiPC6Conventional bond order ID number of order 6Path Count descriptor2D3.178
PaDELpiPC7Conventional bond order ID number of order 7Path Count descriptor2D3.178
PaDELpiPC8Conventional bond order ID number of order 8Path Count descriptor2D3.178
PaDELpiPC9Conventional bond order ID number of order 9Path Count descriptor2D3.178
PaDELpiPC10Conventional bond order ID number of order 10Path Count descriptor2D3.219
PaDELTpiPCTotal conventional bond orderPath Count descriptor2D5.561
PaDELR_TpiPCTPCRatio of total conventional bond order (up to order 10) with total path count (up to order 10)Path Count descriptor2D1.363
PaDELPetitjeanNumberPetitjean numberPetitjean Number descriptor2D0.5
PaDELnRingNumber of ringsRing Count descriptor2D0
PaDELn3RingNumber of 3-membered ringsRing Count descriptor2D0
PaDELn4RingNumber of 4-membered ringsRing Count descriptor2D0
PaDELn5RingNumber of 5-membered ringsRing Count descriptor2D0
PaDELn6RingNumber of 6-membered ringsRing Count descriptor2D0
PaDELn7RingNumber of 7-membered ringsRing Count descriptor2D0
PaDELn8RingNumber of 8-membered ringsRing Count descriptor2D0
PaDELn9RingNumber of 9-membered ringsRing Count descriptor2D0
PaDELn10RingNumber of 10-membered ringsRing Count descriptor2D0
PaDELn11RingNumber of 11-membered ringsRing Count descriptor2D0
PaDELn12RingNumber of 12-membered ringsRing Count descriptor2D0
PaDELnG12RingNumber of >12-membered ringsRing Count descriptor2D0
PaDELnFRingNumber of fused ringsRing Count descriptor2D0
PaDELnF4RingNumber of 4-membered fused ringsRing Count descriptor2D0
PaDELnF5RingNumber of 5-membered fused ringsRing Count descriptor2D0
PaDELnF6RingNumber of 6-membered fused ringsRing Count descriptor2D0
PaDELnF7RingNumber of 7-membered fused ringsRing Count descriptor2D0
PaDELnF8RingNumber of 8-membered fused ringsRing Count descriptor2D0
PaDELnF9RingNumber of 9-membered fused ringsRing Count descriptor2D0
PaDELnF10RingNumber of 10-membered fused ringsRing Count descriptor2D0
PaDELnF11RingNumber of 11-membered fused ringsRing Count descriptor2D0
PaDELnF12RingNumber of 12-membered fused ringsRing Count descriptor2D0
PaDELnFG12RingNumber of >12-membered fused ringsRing Count descriptor2D0
PaDELnTRingNumber of rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT4RingNumber of 4-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT5RingNumber of 5-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT6RingNumber of 6-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT7RingNumber of 7-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT8RingNumber of 8-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT9RingNumber of 9-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT10RingNumber of 10-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT11RingNumber of 11-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT12RingNumber of 12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnTG12RingNumber of >12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnHeteroRingNumber of rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn3HeteroRingNumber of 3-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn4HeteroRingNumber of 4-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn5HeteroRingNumber of 5-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn6HeteroRingNumber of 6-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn7HeteroRingNumber of 7-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn8HeteroRingNumber of 8-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn9HeteroRingNumber of 9-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn10HeteroRingNumber of 10-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn11HeteroRingNumber of 11-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn12HeteroRingNumber of 12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnG12HeteroRingNumber of >12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFHeteroRingNumber of fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF4HeteroRingNumber of 4-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF5HeteroRingNumber of 5-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF6HeteroRingNumber of 6-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF7HeteroRingNumber of 7-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF8HeteroRingNumber of 8-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF9HeteroRingNumber of 9-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF10HeteroRingNumber of 10-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF11HeteroRingNumber of 11-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF12HeteroRingNumber of 12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFG12HeteroRingNumber of >12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTHeteroRingNumber of rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT4HeteroRingNumber of 4-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT5HeteroRingNumber of 5-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT6HeteroRingNumber of 6-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT7HeteroRingNumber of 7-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT8HeteroRingNumber of 8-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT9HeteroRingNumber of 9-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT10HeteroRingNumber of 10-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT11HeteroRingNumber of 11-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT12HeteroRingNumber of 12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTG12HeteroRingNumber of >12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnRotBNumber of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D17
PaDELRotBFracFraction of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.81
PaDELnRotBtNumber of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D19
PaDELRotBtFracFraction of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.905
PaDELLipinskiFailuresNumber failures of the Lipinski's Rule Of 5Rule Of Five descriptor2D2
PaDELtopoRadiusTopological radius (minimum atom eccentricity)Topological descriptor2D10
PaDELtopoDiameterTopological diameterTopological descriptor2D20
PaDELtopoShapePetitjean topological shape indexTopological descriptor2D1
PaDELGGI1Topological charge index of order 1Topological Charge descriptor2D1.5
PaDELGGI2Topological charge index of order 2Topological Charge descriptor2D0.667
PaDELGGI3Topological charge index of order 3Topological Charge descriptor2D0.375
PaDELGGI4Topological charge index of order 4Topological Charge descriptor2D0.16
PaDELGGI5Topological charge index of order 5Topological Charge descriptor2D0.111
PaDELGGI6Topological charge index of order 6Topological Charge descriptor2D0.082
PaDELGGI7Topological charge index of order 7Topological Charge descriptor2D0.063
PaDELGGI8Topological charge index of order 8Topological Charge descriptor2D0.049
PaDELGGI9Topological charge index of order 9Topological Charge descriptor2D0.04
PaDELGGI10Topological charge index of order 10Topological Charge descriptor2D0.033
PaDELJGI1Mean topological charge index of order 1Topological Charge descriptor2D0.071
PaDELJGI2Mean topological charge index of order 2Topological Charge descriptor2D0.032
PaDELJGI3Mean topological charge index of order 3Topological Charge descriptor2D0.019
PaDELJGI4Mean topological charge index of order 4Topological Charge descriptor2D0.008
PaDELJGI5Mean topological charge index of order 5Topological Charge descriptor2D0.007
PaDELJGI6Mean topological charge index of order 6Topological Charge descriptor2D0.005
PaDELJGI7Mean topological charge index of order 7Topological Charge descriptor2D0.004
PaDELJGI8Mean topological charge index of order 8Topological Charge descriptor2D0.004
PaDELJGI9Mean topological charge index of order 9Topological Charge descriptor2D0.003
PaDELJGI10Mean topological charge index of order 10Topological Charge descriptor2D0.003
PaDELJGTGlobal topological charge indexTopological Charge descriptor2D0.176
PaDELSpMax_DLeading eigenvalue from topological distance matrixTopological Distance Matrix descriptor2D162.487
PaDELSpDiam_DSpectral diameter from topological distance matrixTopological Distance Matrix descriptor2D258.418
PaDELSpAD_DSpectral absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D324.975
PaDELSpMAD_DSpectral mean absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D14.772
PaDELEE_DEstrada-like index from topological distance matrixTopological Distance Matrix descriptor2D162.487
PaDELVE1_DCoefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.064
PaDELVE2_DAverage coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.003
PaDELVE3_DLogarithmic coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D-6.061
PaDELVR1_DRandic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D210.114
PaDELVR2_DNormalized Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D9.551
PaDELVR3_DLogarithmic Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D11.765
PaDELTopoPSATopological polar surface areaTPSA descriptor2D26.3
PaDELVABCVan der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, Andreas M., Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds, The Journal of Organic Chemistry, 2003, 68:7368-7373]VABC descriptor2D366.784
PaDELVAdjMatVertex adjacency information (magnitude)VAdjMa descriptor2D5.459
PaDELMWC2Molecular walk count of order 2WalkCount descriptor2D4.443
PaDELMWC3Molecular walk count of order 3WalkCount descriptor2D5.118
PaDELMWC4Molecular walk count of order 4WalkCount descriptor2D5.814
PaDELMWC5Molecular walk count of order 5WalkCount descriptor2D6.5
PaDELMWC6Molecular walk count of order 6WalkCount descriptor2D7.201
PaDELMWC7Molecular walk count of order 7WalkCount descriptor2D7.891
PaDELMWC8Molecular walk count of order 8WalkCount descriptor2D8.595
PaDELMWC9Molecular walk count of order 9WalkCount descriptor2D9.287
PaDELMWC10Molecular walk count of order 10WalkCount descriptor2D9.992
PaDELTWCTotal walk count (up to order 10)WalkCount descriptor2D107.84
PaDELSRW2Self-returning walk count of order 2WalkCount descriptor2D3.761
PaDELSRW3Self-returning walk count of order 3WalkCount descriptor2D0
PaDELSRW4Self-returning walk count of order 4WalkCount descriptor2D4.844
PaDELSRW5Self-returning walk count of order 5WalkCount descriptor2D0
PaDELSRW6Self-returning walk count of order 6WalkCount descriptor2D6.057
PaDELSRW7Self-returning walk count of order 7WalkCount descriptor2D0
PaDELSRW8Self-returning walk count of order 8WalkCount descriptor2D7.331
PaDELSRW9Self-returning walk count of order 9WalkCount descriptor2D0
PaDELSRW10Self-returning walk count of order 10WalkCount descriptor2D8.64
PaDELTSRWTotal self-return walk countWalkCount descriptor2D8.961
PaDELMWMolecular weightPaDEL Weight descriptor2D310.287
PaDELAMWAverage molecular weight (Molecular weight / Total number of atoms)PaDEL Weight descriptor2D5.171
PaDELWTPT-1Molecular IDPaDEL Weighted Path descriptor2D42.652
PaDELWTPT-2Molecular ID / number of atomsPaDEL Weighted Path descriptor2D1.939
PaDELWTPT-3Sum of path lengths starting from heteroatomsPaDEL Weighted Path descriptor2D5.316
PaDELWTPT-4Sum of path lengths starting from oxygensPaDEL Weighted Path descriptor2D5.316
PaDELWTPT-5Sum of path lengths starting from nitrogensPaDEL Weighted Path descriptor2D0
PaDELWPATHWeiner path numberWiener Numbers descriptor2D1720
PaDELWPOLWeiner polarity numberWiener Numbers descriptor2D20
PaDELXLogPXLogPXLogP descriptor2D8.936
PaDELZagrebSum of the squares of atom degree over all heavy atoms iZagreb Index descriptor2D84
PaDELTDB1u3D topological distance based autocorrelation - lag 1 / unweightedAuto correlation 3D descriptor3D1.236
PaDELTDB2u3D topological distance based autocorrelation - lag 2 / unweightedAuto correlation 3D descriptor3D2.146
PaDELTDB3u3D topological distance based autocorrelation - lag 3 / unweightedAuto correlation 3D descriptor3D2.92
PaDELTDB4u3D topological distance based autocorrelation - lag 4 / unweightedAuto correlation 3D descriptor3D3.706
PaDELTDB5u3D topological distance based autocorrelation - lag 5 / unweightedAuto correlation 3D descriptor3D4.37
PaDELTDB6u3D topological distance based autocorrelation - lag 6 / unweightedAuto correlation 3D descriptor3D5.07
PaDELTDB7u3D topological distance based autocorrelation - lag 7 / unweightedAuto correlation 3D descriptor3D5.871
PaDELTDB8u3D topological distance based autocorrelation - lag 8 / unweightedAuto correlation 3D descriptor3D6.662
PaDELTDB9u3D topological distance based autocorrelation - lag 9 / unweightedAuto correlation 3D descriptor3D7.484
PaDELTDB10u3D topological distance based autocorrelation - lag 10 / unweightedAuto correlation 3D descriptor3D8.47
PaDELTDB1m3D topological distance based autocorrelation - lag 1 / weighted by massAuto correlation 3D descriptor3D88.325
PaDELTDB2m3D topological distance based autocorrelation - lag 2 / weighted by massAuto correlation 3D descriptor3D90.2
PaDELTDB3m3D topological distance based autocorrelation - lag 3 / weighted by massAuto correlation 3D descriptor3D83.971
PaDELTDB4m3D topological distance based autocorrelation - lag 4 / weighted by massAuto correlation 3D descriptor3D108.944
PaDELTDB5m3D topological distance based autocorrelation - lag 5 / weighted by massAuto correlation 3D descriptor3D121.767
PaDELTDB6m3D topological distance based autocorrelation - lag 6 / weighted by massAuto correlation 3D descriptor3D139.76
PaDELTDB7m3D topological distance based autocorrelation - lag 7 / weighted by massAuto correlation 3D descriptor3D160.664
PaDELTDB8m3D topological distance based autocorrelation - lag 8 / weighted by massAuto correlation 3D descriptor3D180.895
PaDELTDB9m3D topological distance based autocorrelation - lag 9 / weighted by massAuto correlation 3D descriptor3D203.846
PaDELTDB10m3D topological distance based autocorrelation - lag 10 / weighted by massAuto correlation 3D descriptor3D226.097
PaDELTDB1v3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation 3D descriptor3D297.373
PaDELTDB2v3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation 3D descriptor3D351.116
PaDELTDB3v3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation 3D descriptor3D363.778
PaDELTDB4v3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation 3D descriptor3D470.668
PaDELTDB5v3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation 3D descriptor3D543.017
PaDELTDB6v3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation 3D descriptor3D620.622
PaDELTDB7v3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation 3D descriptor3D713.838
PaDELTDB8v3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation 3D descriptor3D807.305
PaDELTDB9v3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumesAuto correlation 3D descriptor3D909.558
PaDELTDB10v3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1014.727
PaDELTDB1e3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D9.192
PaDELTDB2e3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D15.708
PaDELTDB3e3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D20.974
PaDELTDB4e3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D26.617
PaDELTDB5e3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D31.445
PaDELTDB6e3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D36.214
PaDELTDB7e3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D42.064
PaDELTDB8e3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D47.727
PaDELTDB9e3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D53.544
PaDELTDB10e3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D60.231
PaDELTDB1p3D topological distance based autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.166
PaDELTDB2p3D topological distance based autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.801
PaDELTDB3p3D topological distance based autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.063
PaDELTDB4p3D topological distance based autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.958
PaDELTDB5p3D topological distance based autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.598
PaDELTDB6p3D topological distance based autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation 3D descriptor3D5.29
PaDELTDB7p3D topological distance based autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.078
PaDELTDB8p3D topological distance based autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.881
PaDELTDB9p3D topological distance based autocorrelation - lag 9 / weighted by polarizabilitiesAuto correlation 3D descriptor3D7.759
PaDELTDB10p3D topological distance based autocorrelation - lag 10 / weighted by polarizabilitiesAuto correlation 3D descriptor3D8.726
PaDELTDB1i3D topological distance based autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation 3D descriptor3D177.116
PaDELTDB2i3D topological distance based autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation 3D descriptor3D330.743
PaDELTDB3i3D topological distance based autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation 3D descriptor3D477.429
PaDELTDB4i3D topological distance based autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation 3D descriptor3D602.379
PaDELTDB5i3D topological distance based autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation 3D descriptor3D712.856
PaDELTDB6i3D topological distance based autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation 3D descriptor3D827.989
PaDELTDB7i3D topological distance based autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation 3D descriptor3D960.461
PaDELTDB8i3D topological distance based autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation 3D descriptor3D1090.859
PaDELTDB9i3D topological distance based autocorrelation - lag 9 / weighted by first ionization potentialAuto correlation 3D descriptor3D1223.592
PaDELTDB10i3D topological distance based autocorrelation - lag 10 / weighted by first ionization potentialAuto correlation 3D descriptor3D1384.445
PaDELTDB1s3D topological distance based autocorrelation - lag 1 / weighted by I-stateAuto correlation 3D descriptor3D2.8
PaDELTDB2s3D topological distance based autocorrelation - lag 2 / weighted by I-stateAuto correlation 3D descriptor3D4.48
PaDELTDB3s3D topological distance based autocorrelation - lag 3 / weighted by I-stateAuto correlation 3D descriptor3D5.145
PaDELTDB4s3D topological distance based autocorrelation - lag 4 / weighted by I-stateAuto correlation 3D descriptor3D6.836
PaDELTDB5s3D topological distance based autocorrelation - lag 5 / weighted by I-stateAuto correlation 3D descriptor3D7.997
PaDELTDB6s3D topological distance based autocorrelation - lag 6 / weighted by I-stateAuto correlation 3D descriptor3D8.774
PaDELTDB7s3D topological distance based autocorrelation - lag 7 / weighted by I-stateAuto correlation 3D descriptor3D10.403
PaDELTDB8s3D topological distance based autocorrelation - lag 8 / weighted by I-stateAuto correlation 3D descriptor3D11.809
PaDELTDB9s3D topological distance based autocorrelation - lag 9 / weighted by I-stateAuto correlation 3D descriptor3D13.394
PaDELTDB10s3D topological distance based autocorrelation - lag 10 / weighted by I-stateAuto correlation 3D descriptor3D14.455
PaDELTDB1r3D topological distance based autocorrelation - lag 1 / weighted by covalent radiusAuto correlation 3D descriptor3D0.462
PaDELTDB2r3D topological distance based autocorrelation - lag 2 / weighted by covalent radiusAuto correlation 3D descriptor3D0.612
PaDELTDB3r3D topological distance based autocorrelation - lag 3 / weighted by covalent radiusAuto correlation 3D descriptor3D0.676
PaDELTDB4r3D topological distance based autocorrelation - lag 4 / weighted by covalent radiusAuto correlation 3D descriptor3D0.873
PaDELTDB5r3D topological distance based autocorrelation - lag 5 / weighted by covalent radiusAuto correlation 3D descriptor3D1.015
PaDELTDB6r3D topological distance based autocorrelation - lag 6 / weighted by covalent radiusAuto correlation 3D descriptor3D1.162
PaDELTDB7r3D topological distance based autocorrelation - lag 7 / weighted by covalent radiusAuto correlation 3D descriptor3D1.341
PaDELTDB8r3D topological distance based autocorrelation - lag 8 / weighted by covalent radiusAuto correlation 3D descriptor3D1.518
PaDELTDB9r3D topological distance based autocorrelation - lag 9 / weighted by covalent radiusAuto correlation 3D descriptor3D1.709
PaDELTDB10r3D topological distance based autocorrelation - lag 10 / weighted by covalent radiusAuto correlation 3D descriptor3D1.915
PaDELPPSA-1Partial positive surface area -- sum of surface area on positive parts of moleculeCPSA descriptor3D661.985
PaDELPPSA-2Partial positive surface area * total positive charge on the moleculeCPSA descriptor3D996.45
PaDELPPSA-3Charge weighted partial positive surface areaCPSA descriptor3D21.791
PaDELPNSA-1Partial negative surface area -- sum of surface area on negative parts of moleculeCPSA descriptor3D114.049
PaDELPNSA-2Partial negative surface area * total negative charge on the moleculeCPSA descriptor3D-171.672
PaDELPNSA-3Charge weighted partial negative surface areaCPSA descriptor3D-16.984
PaDELDPSA-1Difference of PPSA-1 and PNSA-1CPSA descriptor3D547.936
PaDELDPSA-2Difference of FPSA-2 and PNSA-2CPSA descriptor3D1168.122
PaDELDPSA-3Difference of PPSA-3 and PNSA-3CPSA descriptor3D38.775
PaDELFPSA-1PPSA-1 / total molecular surface areaCPSA descriptor3D0.853
PaDELFPSA-2PPSA-2 / total molecular surface areaCPSA descriptor3D1.284
PaDELFPSA-3PPSA-3 / total molecular surface areaCPSA descriptor3D0.028
PaDELFNSA-1PNSA-1 / total molecular surface areaCPSA descriptor3D0.147
PaDELFNSA-2PNSA-2 / total molecular surface areaCPSA descriptor3D-0.221
PaDELFNSA-3PNSA-3 / total molecular surface areaCPSA descriptor3D-0.022
PaDELWPSA-1PPSA-1 * total molecular surface area / 1000CPSA descriptor3D513.723
PaDELWPSA-2PPSA-2 * total molecular surface area /1000CPSA descriptor3D773.279
PaDELWPSA-3PPSA-3 * total molecular surface area / 1000CPSA descriptor3D16.911
PaDELWNSA-1PNSA-1 * total molecular surface area /1000CPSA descriptor3D88.506
PaDELWNSA-2PNSA-2 * total molecular surface area / 1000CPSA descriptor3D-133.224
PaDELWNSA-3PNSA-3 * total molecular surface area / 1000CPSA descriptor3D-13.18
PaDELRPCGRelative positive charge -- most positive charge / total positive chargeCPSA descriptor3D0.174
PaDELRNCGRelative negative charge -- most negative charge / total negative chargeCPSA descriptor3D0.21
PaDELRPCSRelative positive charge surface area -- most positive surface area * RPCGCPSA descriptor3D0.912
PaDELRNCSRelative negative charge surface area -- most negative surface area * RNCGCPSA descriptor3D2.11
PaDELTHSASum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2CPSA descriptor3D723.593
PaDELTPSATopological polar surface areaMolecular property descriptor2D52.441
PaDELRHSATHSA / total molecular surface areaCPSA descriptor3D0.932
PaDELRPSATPSA / total molecular surface areaCPSA descriptor3D0.068
PaDELGRAV-1Gravitational index of heavy atomsGravitational Index descriptor3D1457.276
PaDELGRAV-2Square root of gravitational index of heavy atomsGravitational Index descriptor3D38.174
PaDELGRAV-3Cube root of gravitational index of heavy atomsGravitational Index descriptor3D11.337
PaDELGRAVH-1Gravitational index - hydrogens includedGravitational Index descriptor3D1837.129
PaDELGRAVH-2Square root of hydrogen-included gravitational indexGravitational Index descriptor3D42.862
PaDELGRAVH-3Cube root of hydrogen-included gravitational indexGravitational Index descriptor3D12.247
PaDELGRAV-4Gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D2810.172
PaDELGRAV-5Square root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D53.011
PaDELGRAV-6Cube root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D14.112
PaDELLOBMAXThe maximum L/B ratioLength Over Breadth descriptor3D3.775
PaDELLOBMINThe L/B ratio for the rotation that results in the minimum areaLength Over Breadth descriptor3D3.775
PaDELMOMI-XMoment of inertia along X axisMoment Of Inertia descriptor3D10248.154
PaDELMOMI-YMoment of inertia along Y axisMoment Of Inertia descriptor3D9927.989
PaDELMOMI-ZMoment of inertia along Z axisMoment Of Inertia descriptor3D748.702
PaDELMOMI-XYX/YMoment Of Inertia descriptor3D1.032
PaDELMOMI-XZX/ZMoment Of Inertia descriptor3D13.688
PaDELMOMI-YZY/ZMoment Of Inertia descriptor3D13.26
PaDELMOMI-RRadius of gyrationMoment Of Inertia descriptor3D9.266
PaDELgeomRadiusGeometrical radius (minimum geometric eccentricity)PaDEL Petitjean Shape Index descriptor3D10.141
PaDELgeomDiameterGeometrical diameterPaDEL Petitjean Shape Index descriptor3D19.435
PaDELgeomShapePetitjean geometric shape indexPaDEL Petitjean Shape Index descriptor3D0.916
PaDELRDF10uRadial distribution function - 010 / unweightedRDF descriptor3D15.229
PaDELRDF15uRadial distribution function - 015 / unweightedRDF descriptor3D16.689
PaDELRDF20uRadial distribution function - 020 / unweightedRDF descriptor3D9.102
PaDELRDF25uRadial distribution function - 025 / unweightedRDF descriptor3D54.051
PaDELRDF30uRadial distribution function - 030 / unweightedRDF descriptor3D30.957
PaDELRDF35uRadial distribution function - 035 / unweightedRDF descriptor3D37.079
PaDELRDF40uRadial distribution function - 040 / unweightedRDF descriptor3D30.452
PaDELRDF45uRadial distribution function - 045 / unweightedRDF descriptor3D29.892
PaDELRDF50uRadial distribution function - 050 / unweightedRDF descriptor3D27.77
PaDELRDF55uRadial distribution function - 055 / unweightedRDF descriptor3D28.918
PaDELRDF60uRadial distribution function - 060 / unweightedRDF descriptor3D28.247
PaDELRDF65uRadial distribution function - 065 / unweightedRDF descriptor3D29.927
PaDELRDF70uRadial distribution function - 070 / unweightedRDF descriptor3D24.463
PaDELRDF75uRadial distribution function - 075 / unweightedRDF descriptor3D18.204
PaDELRDF80uRadial distribution function - 080 / unweightedRDF descriptor3D21.336
PaDELRDF85uRadial distribution function - 085 / unweightedRDF descriptor3D22.588
PaDELRDF90uRadial distribution function - 090 / unweightedRDF descriptor3D23.004
PaDELRDF95uRadial distribution function - 095 / unweightedRDF descriptor3D17.808
PaDELRDF100uRadial distribution function - 100 / unweightedRDF descriptor3D20.372
PaDELRDF105uRadial distribution function - 105 / unweightedRDF descriptor3D15.111
PaDELRDF110uRadial distribution function - 110 / unweightedRDF descriptor3D12.852
PaDELRDF115uRadial distribution function - 115 / unweightedRDF descriptor3D13.73
PaDELRDF120uRadial distribution function - 120 / unweightedRDF descriptor3D10.531
PaDELRDF125uRadial distribution function - 125 / unweightedRDF descriptor3D13.9
PaDELRDF130uRadial distribution function - 130 / unweightedRDF descriptor3D12.739
PaDELRDF135uRadial distribution function - 135 / unweightedRDF descriptor3D11.077
PaDELRDF140uRadial distribution function - 140 / unweightedRDF descriptor3D11.341
PaDELRDF145uRadial distribution function - 145 / unweightedRDF descriptor3D10.326
PaDELRDF150uRadial distribution function - 150 / unweightedRDF descriptor3D6.965
PaDELRDF155uRadial distribution function - 155 / unweightedRDF descriptor3D6.813
PaDELRDF10mRadial distribution function - 010 / weighted by relative massRDF descriptor3D1.287
PaDELRDF15mRadial distribution function - 015 / weighted by relative massRDF descriptor3D16.924
PaDELRDF20mRadial distribution function - 020 / weighted by relative massRDF descriptor3D0.775
PaDELRDF25mRadial distribution function - 025 / weighted by relative massRDF descriptor3D13.068
PaDELRDF30mRadial distribution function - 030 / weighted by relative massRDF descriptor3D3.355
PaDELRDF35mRadial distribution function - 035 / weighted by relative massRDF descriptor3D7.798
PaDELRDF40mRadial distribution function - 040 / weighted by relative massRDF descriptor3D4.745
PaDELRDF45mRadial distribution function - 045 / weighted by relative massRDF descriptor3D6.896
PaDELRDF50mRadial distribution function - 050 / weighted by relative massRDF descriptor3D5.401
PaDELRDF55mRadial distribution function - 055 / weighted by relative massRDF descriptor3D4.674
PaDELRDF60mRadial distribution function - 060 / weighted by relative massRDF descriptor3D5.789
PaDELRDF65mRadial distribution function - 065 / weighted by relative massRDF descriptor3D4.949
PaDELRDF70mRadial distribution function - 070 / weighted by relative massRDF descriptor3D5.148
PaDELRDF75mRadial distribution function - 075 / weighted by relative massRDF descriptor3D4.61
PaDELRDF80mRadial distribution function - 080 / weighted by relative massRDF descriptor3D5.224
PaDELRDF85mRadial distribution function - 085 / weighted by relative massRDF descriptor3D2.779
PaDELRDF90mRadial distribution function - 090 / weighted by relative massRDF descriptor3D3.53
PaDELRDF95mRadial distribution function - 095 / weighted by relative massRDF descriptor3D1.172
PaDELRDF100mRadial distribution function - 100 / weighted by relative massRDF descriptor3D1.641
PaDELRDF105mRadial distribution function - 105 / weighted by relative massRDF descriptor3D2.945
PaDELRDF110mRadial distribution function - 110 / weighted by relative massRDF descriptor3D2.961
PaDELRDF115mRadial distribution function - 115 / weighted by relative massRDF descriptor3D1.106
PaDELRDF120mRadial distribution function - 120 / weighted by relative massRDF descriptor3D2.013
PaDELRDF125mRadial distribution function - 125 / weighted by relative massRDF descriptor3D1.893
PaDELRDF130mRadial distribution function - 130 / weighted by relative massRDF descriptor3D3.572
PaDELRDF135mRadial distribution function - 135 / weighted by relative massRDF descriptor3D2.336
PaDELRDF140mRadial distribution function - 140 / weighted by relative massRDF descriptor3D2.679
PaDELRDF145mRadial distribution function - 145 / weighted by relative massRDF descriptor3D1.952
PaDELRDF150mRadial distribution function - 150 / weighted by relative massRDF descriptor3D2.057
PaDELRDF155mRadial distribution function - 155 / weighted by relative massRDF descriptor3D1.842
PaDELRDF10vRadial distribution function - 010 / weighted by relative van der Waals volumesRDF descriptor3D4.129
PaDELRDF15vRadial distribution function - 015 / weighted by relative van der Waals volumesRDF descriptor3D16.432
PaDELRDF20vRadial distribution function - 020 / weighted by relative van der Waals volumesRDF descriptor3D2.315
PaDELRDF25vRadial distribution function - 025 / weighted by relative van der Waals volumesRDF descriptor3D15.37
PaDELRDF30vRadial distribution function - 030 / weighted by relative van der Waals volumesRDF descriptor3D6.234
PaDELRDF35vRadial distribution function - 035 / weighted by relative van der Waals volumesRDF descriptor3D12.786
PaDELRDF40vRadial distribution function - 040 / weighted by relative van der Waals volumesRDF descriptor3D8.219
PaDELRDF45vRadial distribution function - 045 / weighted by relative van der Waals volumesRDF descriptor3D9.749
PaDELRDF50vRadial distribution function - 050 / weighted by relative van der Waals volumesRDF descriptor3D8.234
PaDELRDF55vRadial distribution function - 055 / weighted by relative van der Waals volumesRDF descriptor3D7.773
PaDELRDF60vRadial distribution function - 060 / weighted by relative van der Waals volumesRDF descriptor3D8.353
PaDELRDF65vRadial distribution function - 065 / weighted by relative van der Waals volumesRDF descriptor3D8.269
PaDELRDF70vRadial distribution function - 070 / weighted by relative van der Waals volumesRDF descriptor3D6.664
PaDELRDF75vRadial distribution function - 075 / weighted by relative van der Waals volumesRDF descriptor3D5.522
PaDELRDF80vRadial distribution function - 080 / weighted by relative van der Waals volumesRDF descriptor3D6.967
PaDELRDF85vRadial distribution function - 085 / weighted by relative van der Waals volumesRDF descriptor3D5.207
PaDELRDF90vRadial distribution function - 090 / weighted by relative van der Waals volumesRDF descriptor3D6.6
PaDELRDF95vRadial distribution function - 095 / weighted by relative van der Waals volumesRDF descriptor3D3.376
PaDELRDF100vRadial distribution function - 100 / weighted by relative van der Waals volumesRDF descriptor3D4.111
PaDELRDF105vRadial distribution function - 105 / weighted by relative van der Waals volumesRDF descriptor3D4.617
PaDELRDF110vRadial distribution function - 110 / weighted by relative van der Waals volumesRDF descriptor3D3.931
PaDELRDF115vRadial distribution function - 115 / weighted by relative van der Waals volumesRDF descriptor3D2.363
PaDELRDF120vRadial distribution function - 120 / weighted by relative van der Waals volumesRDF descriptor3D3.095
PaDELRDF125vRadial distribution function - 125 / weighted by relative van der Waals volumesRDF descriptor3D2.728
PaDELRDF130vRadial distribution function - 130 / weighted by relative van der Waals volumesRDF descriptor3D4.396
PaDELRDF135vRadial distribution function - 135 / weighted by relative van der Waals volumesRDF descriptor3D3.07
PaDELRDF140vRadial distribution function - 140 / weighted by relative van der Waals volumesRDF descriptor3D3.196
PaDELRDF145vRadial distribution function - 145 / weighted by relative van der Waals volumesRDF descriptor3D2.948
PaDELRDF150vRadial distribution function - 150 / weighted by relative van der Waals volumesRDF descriptor3D2.053
PaDELRDF155vRadial distribution function - 155 / weighted by relative van der Waals volumesRDF descriptor3D1.798
PaDELRDF10eRadial distribution function - 010 / weighted by relative Sanderson electronegativitiesRDF descriptor3D14.378
PaDELRDF15eRadial distribution function - 015 / weighted by relative Sanderson electronegativitiesRDF descriptor3D16.95
PaDELRDF20eRadial distribution function - 020 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.951
PaDELRDF25eRadial distribution function - 025 / weighted by relative Sanderson electronegativitiesRDF descriptor3D50.902
PaDELRDF30eRadial distribution function - 030 / weighted by relative Sanderson electronegativitiesRDF descriptor3D28.816
PaDELRDF35eRadial distribution function - 035 / weighted by relative Sanderson electronegativitiesRDF descriptor3D35.103
PaDELRDF40eRadial distribution function - 040 / weighted by relative Sanderson electronegativitiesRDF descriptor3D28.768
PaDELRDF45eRadial distribution function - 045 / weighted by relative Sanderson electronegativitiesRDF descriptor3D28.447
PaDELRDF50eRadial distribution function - 050 / weighted by relative Sanderson electronegativitiesRDF descriptor3D26.262
PaDELRDF55eRadial distribution function - 055 / weighted by relative Sanderson electronegativitiesRDF descriptor3D27.306
PaDELRDF60eRadial distribution function - 060 / weighted by relative Sanderson electronegativitiesRDF descriptor3D26.495
PaDELRDF65eRadial distribution function - 065 / weighted by relative Sanderson electronegativitiesRDF descriptor3D28.036
PaDELRDF70eRadial distribution function - 070 / weighted by relative Sanderson electronegativitiesRDF descriptor3D23.694
PaDELRDF75eRadial distribution function - 075 / weighted by relative Sanderson electronegativitiesRDF descriptor3D17.841
PaDELRDF80eRadial distribution function - 080 / weighted by relative Sanderson electronegativitiesRDF descriptor3D20.617
PaDELRDF85eRadial distribution function - 085 / weighted by relative Sanderson electronegativitiesRDF descriptor3D21.144
PaDELRDF90eRadial distribution function - 090 / weighted by relative Sanderson electronegativitiesRDF descriptor3D21.522
PaDELRDF95eRadial distribution function - 095 / weighted by relative Sanderson electronegativitiesRDF descriptor3D16.477
PaDELRDF100eRadial distribution function - 100 / weighted by relative Sanderson electronegativitiesRDF descriptor3D19.021
PaDELRDF105eRadial distribution function - 105 / weighted by relative Sanderson electronegativitiesRDF descriptor3D14.136
PaDELRDF110eRadial distribution function - 110 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.488
PaDELRDF115eRadial distribution function - 115 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.891
PaDELRDF120eRadial distribution function - 120 / weighted by relative Sanderson electronegativitiesRDF descriptor3D10.372
PaDELRDF125eRadial distribution function - 125 / weighted by relative Sanderson electronegativitiesRDF descriptor3D13.143
PaDELRDF130eRadial distribution function - 130 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.665
PaDELRDF135eRadial distribution function - 135 / weighted by relative Sanderson electronegativitiesRDF descriptor3D11.096
PaDELRDF140eRadial distribution function - 140 / weighted by relative Sanderson electronegativitiesRDF descriptor3D10.945
PaDELRDF145eRadial distribution function - 145 / weighted by relative Sanderson electronegativitiesRDF descriptor3D10.517
PaDELRDF150eRadial distribution function - 150 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.91
PaDELRDF155eRadial distribution function - 155 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.554
PaDELRDF10pRadial distribution function - 010 / weighted by relative polarizabilitiesRDF descriptor3D6.081
PaDELRDF15pRadial distribution function - 015 / weighted by relative polarizabilitiesRDF descriptor3D16.246
PaDELRDF20pRadial distribution function - 020 / weighted by relative polarizabilitiesRDF descriptor3D3.314
PaDELRDF25pRadial distribution function - 025 / weighted by relative polarizabilitiesRDF descriptor3D18.557
PaDELRDF30pRadial distribution function - 030 / weighted by relative polarizabilitiesRDF descriptor3D9.031
PaDELRDF35pRadial distribution function - 035 / weighted by relative polarizabilitiesRDF descriptor3D16.471
PaDELRDF40pRadial distribution function - 040 / weighted by relative polarizabilitiesRDF descriptor3D10.999
PaDELRDF45pRadial distribution function - 045 / weighted by relative polarizabilitiesRDF descriptor3D12.242
PaDELRDF50pRadial distribution function - 050 / weighted by relative polarizabilitiesRDF descriptor3D10.596
PaDELRDF55pRadial distribution function - 055 / weighted by relative polarizabilitiesRDF descriptor3D10.467
PaDELRDF60pRadial distribution function - 060 / weighted by relative polarizabilitiesRDF descriptor3D10.628
PaDELRDF65pRadial distribution function - 065 / weighted by relative polarizabilitiesRDF descriptor3D11.06
PaDELRDF70pRadial distribution function - 070 / weighted by relative polarizabilitiesRDF descriptor3D8.324
PaDELRDF75pRadial distribution function - 075 / weighted by relative polarizabilitiesRDF descriptor3D6.608
PaDELRDF80pRadial distribution function - 080 / weighted by relative polarizabilitiesRDF descriptor3D8.558
PaDELRDF85pRadial distribution function - 085 / weighted by relative polarizabilitiesRDF descriptor3D7.267
PaDELRDF90pRadial distribution function - 090 / weighted by relative polarizabilitiesRDF descriptor3D8.969
PaDELRDF95pRadial distribution function - 095 / weighted by relative polarizabilitiesRDF descriptor3D5.216
PaDELRDF100pRadial distribution function - 100 / weighted by relative polarizabilitiesRDF descriptor3D6.14
PaDELRDF105pRadial distribution function - 105 / weighted by relative polarizabilitiesRDF descriptor3D5.996
PaDELRDF110pRadial distribution function - 110 / weighted by relative polarizabilitiesRDF descriptor3D4.841
PaDELRDF115pRadial distribution function - 115 / weighted by relative polarizabilitiesRDF descriptor3D3.517
PaDELRDF120pRadial distribution function - 120 / weighted by relative polarizabilitiesRDF descriptor3D3.959
PaDELRDF125pRadial distribution function - 125 / weighted by relative polarizabilitiesRDF descriptor3D3.732
PaDELRDF130pRadial distribution function - 130 / weighted by relative polarizabilitiesRDF descriptor3D5.193
PaDELRDF135pRadial distribution function - 135 / weighted by relative polarizabilitiesRDF descriptor3D3.695
PaDELRDF140pRadial distribution function - 140 / weighted by relative polarizabilitiesRDF descriptor3D3.943
PaDELRDF145pRadial distribution function - 145 / weighted by relative polarizabilitiesRDF descriptor3D3.611
PaDELRDF150pRadial distribution function - 150 / weighted by relative polarizabilitiesRDF descriptor3D2.374
PaDELRDF155pRadial distribution function - 155 / weighted by relative polarizabilitiesRDF descriptor3D1.876
PaDELRDF10iRadial distribution function - 010 / weighted by relative first ionization potentialRDF descriptor3D18.392
PaDELRDF15iRadial distribution function - 015 / weighted by relative first ionization potentialRDF descriptor3D16.87
PaDELRDF20iRadial distribution function - 020 / weighted by relative first ionization potentialRDF descriptor3D11.37
PaDELRDF25iRadial distribution function - 025 / weighted by relative first ionization potentialRDF descriptor3D73.174
PaDELRDF30iRadial distribution function - 030 / weighted by relative first ionization potentialRDF descriptor3D41.377
PaDELRDF35iRadial distribution function - 035 / weighted by relative first ionization potentialRDF descriptor3D45.402
PaDELRDF40iRadial distribution function - 040 / weighted by relative first ionization potentialRDF descriptor3D39.447
PaDELRDF45iRadial distribution function - 045 / weighted by relative first ionization potentialRDF descriptor3D37.682
PaDELRDF50iRadial distribution function - 050 / weighted by relative first ionization potentialRDF descriptor3D35.813
PaDELRDF55iRadial distribution function - 055 / weighted by relative first ionization potentialRDF descriptor3D36.945
PaDELRDF60iRadial distribution function - 060 / weighted by relative first ionization potentialRDF descriptor3D36.881
PaDELRDF65iRadial distribution function - 065 / weighted by relative first ionization potentialRDF descriptor3D38.438
PaDELRDF70iRadial distribution function - 070 / weighted by relative first ionization potentialRDF descriptor3D32.194
PaDELRDF75iRadial distribution function - 075 / weighted by relative first ionization potentialRDF descriptor3D23.774
PaDELRDF80iRadial distribution function - 080 / weighted by relative first ionization potentialRDF descriptor3D27.117
PaDELRDF85iRadial distribution function - 085 / weighted by relative first ionization potentialRDF descriptor3D29.928
PaDELRDF90iRadial distribution function - 090 / weighted by relative first ionization potentialRDF descriptor3D28.974
PaDELRDF95iRadial distribution function - 095 / weighted by relative first ionization potentialRDF descriptor3D23.639
PaDELRDF100iRadial distribution function - 100 / weighted by relative first ionization potentialRDF descriptor3D27.003
PaDELRDF105iRadial distribution function - 105 / weighted by relative first ionization potentialRDF descriptor3D19.248
PaDELRDF110iRadial distribution function - 110 / weighted by relative first ionization potentialRDF descriptor3D16.599
PaDELRDF115iRadial distribution function - 115 / weighted by relative first ionization potentialRDF descriptor3D18.95
PaDELRDF120iRadial distribution function - 120 / weighted by relative first ionization potentialRDF descriptor3D13.342
PaDELRDF125iRadial distribution function - 125 / weighted by relative first ionization potentialRDF descriptor3D19.065
PaDELRDF130iRadial distribution function - 130 / weighted by relative first ionization potentialRDF descriptor3D16.128
PaDELRDF135iRadial distribution function - 135 / weighted by relative first ionization potentialRDF descriptor3D14.873
PaDELRDF140iRadial distribution function - 140 / weighted by relative first ionization potentialRDF descriptor3D14.742
PaDELRDF145iRadial distribution function - 145 / weighted by relative first ionization potentialRDF descriptor3D13.64
PaDELRDF150iRadial distribution function - 150 / weighted by relative first ionization potentialRDF descriptor3D9.047
PaDELRDF155iRadial distribution function - 155 / weighted by relative first ionization potentialRDF descriptor3D9.335
PaDELRDF10sRadial distribution function - 010 / weighted by relative I-stateRDF descriptor3D9.509
PaDELRDF15sRadial distribution function - 015 / weighted by relative I-stateRDF descriptor3D16.756
PaDELRDF20sRadial distribution function - 020 / weighted by relative I-stateRDF descriptor3D6.585
PaDELRDF25sRadial distribution function - 025 / weighted by relative I-stateRDF descriptor3D35.868
PaDELRDF30sRadial distribution function - 030 / weighted by relative I-stateRDF descriptor3D17.343
PaDELRDF35sRadial distribution function - 035 / weighted by relative I-stateRDF descriptor3D24.098
PaDELRDF40sRadial distribution function - 040 / weighted by relative I-stateRDF descriptor3D20.314
PaDELRDF45sRadial distribution function - 045 / weighted by relative I-stateRDF descriptor3D19.944
PaDELRDF50sRadial distribution function - 050 / weighted by relative I-stateRDF descriptor3D17.112
PaDELRDF55sRadial distribution function - 055 / weighted by relative I-stateRDF descriptor3D20.016
PaDELRDF60sRadial distribution function - 060 / weighted by relative I-stateRDF descriptor3D18.074
PaDELRDF65sRadial distribution function - 065 / weighted by relative I-stateRDF descriptor3D18.467
PaDELRDF70sRadial distribution function - 070 / weighted by relative I-stateRDF descriptor3D20.395
PaDELRDF75sRadial distribution function - 075 / weighted by relative I-stateRDF descriptor3D16.865
PaDELRDF80sRadial distribution function - 080 / weighted by relative I-stateRDF descriptor3D15.289
PaDELRDF85sRadial distribution function - 085 / weighted by relative I-stateRDF descriptor3D13.912
PaDELRDF90sRadial distribution function - 090 / weighted by relative I-stateRDF descriptor3D13.628
PaDELRDF95sRadial distribution function - 095 / weighted by relative I-stateRDF descriptor3D9.596
PaDELRDF100sRadial distribution function - 100 / weighted by relative I-stateRDF descriptor3D11.277
PaDELRDF105sRadial distribution function - 105 / weighted by relative I-stateRDF descriptor3D9.333
PaDELRDF110sRadial distribution function - 110 / weighted by relative I-stateRDF descriptor3D10.74
PaDELRDF115sRadial distribution function - 115 / weighted by relative I-stateRDF descriptor3D7.751
PaDELRDF120sRadial distribution function - 120 / weighted by relative I-stateRDF descriptor3D7.922
PaDELRDF125sRadial distribution function - 125 / weighted by relative I-stateRDF descriptor3D9.871
PaDELRDF130sRadial distribution function - 130 / weighted by relative I-stateRDF descriptor3D11.151
PaDELRDF135sRadial distribution function - 135 / weighted by relative I-stateRDF descriptor3D9.988
PaDELRDF140sRadial distribution function - 140 / weighted by relative I-stateRDF descriptor3D8.283
PaDELRDF145sRadial distribution function - 145 / weighted by relative I-stateRDF descriptor3D10.08
PaDELRDF150sRadial distribution function - 150 / weighted by relative I-stateRDF descriptor3D6.145
PaDELRDF155sRadial distribution function - 155 / weighted by relative I-stateRDF descriptor3D10.035
PaDELL1u1st component size directional WHIM index / unweightedPaDEL WHIM descriptor3D32.098
PaDELL2u2nd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D2.335
PaDELL3u3rd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D1.145
PaDELP1u1st component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.902
PaDELP2u2nd component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.066
PaDELE1u1st component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.547
PaDELE2u2nd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.423
PaDELE3u3rd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.504
PaDELTuT total size index / unweightedPaDEL WHIM descriptor3D35.578
PaDELAuA total size index / unweightedPaDEL WHIM descriptor3D114.373
PaDELVuV total size index / unweightedPaDEL WHIM descriptor3D235.764
PaDELKuK global shape index / unweightedPaDEL WHIM descriptor3D0.853
PaDELDuD total accessibility index / unweightedPaDEL WHIM descriptor3D1.474
PaDELL1m1st component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D31.726
PaDELL2m2nd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D1.725
PaDELL3m3rd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.701
PaDELP1m1st component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.929
PaDELP2m2nd component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.051
PaDELE1m1st component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.535
PaDELE2m2nd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.225
PaDELE3m3rd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.178
PaDELTmT total size index / weighted by relative massPaDEL WHIM descriptor3D34.153
PaDELAmA total size index / weighted by relative massPaDEL WHIM descriptor3D78.194
PaDELVmV total size index / weighted by relative massPaDEL WHIM descriptor3D150.729
PaDELKmK global shape index / weighted by relative massPaDEL WHIM descriptor3D0.893
PaDELDmD total accessibility index / weighted by relative massPaDEL WHIM descriptor3D0.938
PaDELL1v1st component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D31.121
PaDELL2v2nd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.948
PaDELL3v3rd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.869
PaDELP1v1st component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.917
PaDELP2v2nd component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.057
PaDELE1v1st component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.514
PaDELE2v2nd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.292
PaDELE3v3rd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.296
PaDELTvT total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D33.938
PaDELAvA total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D89.362
PaDELVvV total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D175.996
PaDELKvK global shape index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.875
PaDELDvD total accessibility index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.103
PaDELL1e1st component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D32.307
PaDELL2e2nd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D2.312
PaDELL3e3rd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.139
PaDELP1e1st component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.903
PaDELP2e2nd component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.065
PaDELE1e1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.554
PaDELE2e2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.413
PaDELE3e3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.503
PaDELTeT total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D35.759
PaDELAeA total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D114.138
PaDELVeV total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D234.999
PaDELKeK global shape index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.855
PaDELDeD total accessibility index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.47
PaDELL1p1st component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D31.063
PaDELL2p2nd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D2.061
PaDELL3p3rd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.942
PaDELP1p1st component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.912
PaDELP2p2nd component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.061
PaDELE1p1st component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.513
PaDELE2p2nd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.33
PaDELE3p3rd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.346
PaDELTpT total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D34.066
PaDELApA total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D95.222
PaDELVpV total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D189.586
PaDELKpK global shape index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.868
PaDELDpD total accessibility index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.188
PaDELL1i1st component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D32.305
PaDELL2i2nd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D2.385
PaDELL3i3rd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.182
PaDELP1i1st component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.901
PaDELP2i2nd component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.066
PaDELE1i1st component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.554
PaDELE2i2nd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.441
PaDELE3i3rd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.536
PaDELTiT total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D35.872
PaDELAiA total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D118.056
PaDELViV total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D245.019
PaDELKiK global shape index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.851
PaDELDiD total accessibility index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.531
PaDELL1s1st component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D32.273
PaDELL2s2nd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D2.326
PaDELL3s3rd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D1.146
PaDELP1s1st component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.903
PaDELP2s2nd component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.065
PaDELE1s1st component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.553
PaDELE2s2nd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.417
PaDELE3s3rd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.509
PaDELTsT total size index / weighted by relative I-statePaDEL WHIM descriptor3D35.745
PaDELAsA total size index / weighted by relative I-statePaDEL WHIM descriptor3D114.723
PaDELVsV total size index / weighted by relative I-statePaDEL WHIM descriptor3D236.504
PaDELKsK global shape index / weighted by relative I-statePaDEL WHIM descriptor3D0.854
PaDELDsD total accessibility index / weighted by relative I-statePaDEL WHIM descriptor3D1.48
DISCLAIMER

sCentInDB is a comprehensive resource providing detailed information on the essential oils and chemical profiles of Indian medicinal plants. The information included has been manually curated from published research articles and books, with rigorous attention to accuracy and completeness. While every effort has been made to ensure the completeness of the data, we disclaim responsibility for any inaccuracies or omissions present in the original publications from where we have compiled the information. Users are encouraged to critically assess the provided information and exercise discretion in its interpretation and application. This resource aims to support basic research in the field of essential oil chemistry. Please note that the content provided does not necessarily reflect the views or objectives of our employers or funders.