Secondary metabolite:Geraniol



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 descriptor2D2.34
PaDELALogp2Square of AlogPALOGP descriptor2D5.474
PaDELAMRMolar refractivityALOGP descriptor2D51.297
PaDELapolSum of the atomic polarizabilities (including implicit hydrogens)APol descriptor2D30.404
PaDELnaAromAtomNumber of aromatic atomsAromatic Atoms Count descriptor2D0
PaDELnAromBondNumber of aromatic bondsAromatic Bonds Count descriptor2D0
PaDELnAtomNumber of atomsAtom Count descriptor2D29
PaDELnHeavyAtomNumber of heavy atoms (i.e. not hydrogen)Atom Count descriptor2D11
PaDELnHNumber of hydrogen atomsAtom Count descriptor2D18
PaDELnBNumber of boron atomsAtom Count descriptor2D0
PaDELnCNumber of carbon atomsAtom Count descriptor2D10
PaDELnNNumber of nitrogen atomsAtom Count descriptor2D0
PaDELnONumber of oxygen atomsAtom Count descriptor2D1
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 descriptor2D1716.898
PaDELATS1mBroto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1712.489
PaDELATS2mBroto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D1969.822
PaDELATS3mBroto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1808.42
PaDELATS4mBroto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D1654.698
PaDELATS5mBroto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D1290.957
PaDELATS6mBroto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1140.639
PaDELATS7mBroto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D779.347
PaDELATS8mBroto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D542.908
PaDELATS0vBroto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D5011.067
PaDELATS1vBroto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D6146.918
PaDELATS2vBroto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D7828.61
PaDELATS3vBroto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D8214.234
PaDELATS4vBroto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D7604.824
PaDELATS5vBroto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D6287.1
PaDELATS6vBroto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D4967.748
PaDELATS7vBroto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D3995.054
PaDELATS8vBroto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D2644.655
PaDELATS0eBroto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D209.689
PaDELATS1eBroto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D208.369
PaDELATS2eBroto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D355.826
PaDELATS3eBroto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D403.249
PaDELATS4eBroto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D480.793
PaDELATS5eBroto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D453.234
PaDELATS6eBroto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D334.287
PaDELATS7eBroto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D225.165
PaDELATS8eBroto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D266.323
PaDELATS0pBroto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D36.535
PaDELATS1pBroto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D45.904
PaDELATS2pBroto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D62.358
PaDELATS3pBroto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D68.719
PaDELATS4pBroto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D66.826
PaDELATS5pBroto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D55.794
PaDELATS6pBroto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D43.058
PaDELATS7pBroto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D34.842
PaDELATS8pBroto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D26.043
PaDELATS0iBroto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D4781.913
PaDELATS1iBroto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D4082.76
PaDELATS2iBroto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D7685.608
PaDELATS3iBroto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D8714.471
PaDELATS4iBroto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D11176.864
PaDELATS5iBroto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D10629.462
PaDELATS6iBroto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D7924.341
PaDELATS7iBroto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D4853.606
PaDELATS8iBroto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D6613.976
PaDELATS0sBroto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D86.306
PaDELATS1sBroto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D73.417
PaDELATS2sBroto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D108.667
PaDELATS3sBroto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D116.583
PaDELATS4sBroto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D121.194
PaDELATS5sBroto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D123.833
PaDELATS6sBroto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D91.167
PaDELATS7sBroto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D71.333
PaDELATS8sBroto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D67.667
PaDELAATS0mAverage Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D59.203
PaDELAATS1mAverage Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D61.16
PaDELAATS2mAverage Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D40.2
PaDELAATS3mAverage Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D32.293
PaDELAATS4mAverage Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D24.334
PaDELAATS5mAverage Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D20.491
PaDELAATS6mAverage Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D24.269
PaDELAATS7mAverage Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D25.14
PaDELAATS8mAverage Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D14.287
PaDELAATS0vAverage Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D172.795
PaDELAATS1vAverage Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D219.533
PaDELAATS2vAverage Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D159.768
PaDELAATS3vAverage Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D146.683
PaDELAATS4vAverage Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D111.836
PaDELAATS5vAverage Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D99.795
PaDELAATS6vAverage Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D105.697
PaDELAATS7vAverage Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D128.873
PaDELAATS8vAverage Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D69.596
PaDELAATS0eAverage Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.231
PaDELAATS1eAverage Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.442
PaDELAATS2eAverage Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.262
PaDELAATS3eAverage Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.201
PaDELAATS4eAverage Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.07
PaDELAATS5eAverage Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.194
PaDELAATS6eAverage Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.112
PaDELAATS7eAverage Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.263
PaDELAATS8eAverage Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.009
PaDELAATS0pAverage Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D1.26
PaDELAATS1pAverage Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.639
PaDELAATS2pAverage Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.273
PaDELAATS3pAverage Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.227
PaDELAATS4pAverage Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D0.983
PaDELAATS5pAverage Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.886
PaDELAATS6pAverage Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.916
PaDELAATS7pAverage Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D1.124
PaDELAATS8pAverage Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.685
PaDELAATS0iAverage Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D164.894
PaDELAATS1iAverage Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D145.813
PaDELAATS2iAverage Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D156.849
PaDELAATS3iAverage Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D155.616
PaDELAATS4iAverage Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D164.366
PaDELAATS5iAverage Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D168.722
PaDELAATS6iAverage Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D168.603
PaDELAATS7iAverage Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D156.568
PaDELAATS8iAverage Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D174.052
PaDELAATS0sAverage Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D2.976
PaDELAATS1sAverage Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D2.622
PaDELAATS2sAverage Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D2.218
PaDELAATS3sAverage Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D2.082
PaDELAATS4sAverage Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.782
PaDELAATS5sAverage Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.966
PaDELAATS6sAverage Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.94
PaDELAATS7sAverage Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D2.301
PaDELAATS8sAverage Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D1.781
PaDELATSC0cCentered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.257
PaDELATSC1cCentered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.099
PaDELATSC2cCentered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0.028
PaDELATSC3cCentered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0.027
PaDELATSC4cCentered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.044
PaDELATSC5cCentered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.042
PaDELATSC6cCentered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.033
PaDELATSC7cCentered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.034
PaDELATSC8cCentered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.053
PaDELATSC0mCentered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D896.416
PaDELATSC1mCentered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-61.974
PaDELATSC2mCentered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-42.156
PaDELATSC3mCentered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-469.041
PaDELATSC4mCentered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D56.274
PaDELATSC5mCentered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-11.957
PaDELATSC6mCentered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D264.037
PaDELATSC7mCentered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-474.203
PaDELATSC8mCentered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D290.228
PaDELATSC0vCentered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D1461.016
PaDELATSC1vCentered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-58.326
PaDELATSC2vCentered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D8.135
PaDELATSC3vCentered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-839.936
PaDELATSC4vCentered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-132.743
PaDELATSC5vCentered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D142.143
PaDELATSC6vCentered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D469.372
PaDELATSC7vCentered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-884.983
PaDELATSC8vCentered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D248.066
PaDELATSC0eCentered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.132
PaDELATSC1eCentered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.086
PaDELATSC2eCentered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.112
PaDELATSC3eCentered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.119
PaDELATSC4eCentered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.204
PaDELATSC5eCentered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.238
PaDELATSC6eCentered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.029
PaDELATSC7eCentered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.117
PaDELATSC8eCentered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.263
PaDELATSC0pCentered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D6.518
PaDELATSC1pCentered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.122
PaDELATSC2pCentered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.253
PaDELATSC3pCentered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-3.666
PaDELATSC4pCentered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-1.254
PaDELATSC5pCentered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D1.02
PaDELATSC6pCentered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D2.01
PaDELATSC7pCentered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-3.984
PaDELATSC8pCentered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.275
PaDELATSC0iCentered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D35.85
PaDELATSC1iCentered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.449
PaDELATSC2iCentered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D1.709
PaDELATSC3iCentered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-19.766
PaDELATSC4iCentered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-7.89
PaDELATSC5iCentered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D6.11
PaDELATSC6iCentered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D10.748
PaDELATSC7iCentered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-21.702
PaDELATSC8iCentered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.114
PaDELATSC0sCentered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D25.96
PaDELATSC1sCentered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-3.916
PaDELATSC2sCentered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.219
PaDELATSC3sCentered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-5.625
PaDELATSC4sCentered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D5.925
PaDELATSC5sCentered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-6.409
PaDELATSC6sCentered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D3.123
PaDELATSC7sCentered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-5.527
PaDELATSC8sCentered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D8.739
PaDELAATSC0cAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.009
PaDELAATSC1cAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.004
PaDELAATSC2cAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0.001
PaDELAATSC3cAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC4cAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC5cAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.001
PaDELAATSC6cAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC7cAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.001
PaDELAATSC8cAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC0mAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D30.911
PaDELAATSC1mAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-2.213
PaDELAATSC2mAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-0.86
PaDELAATSC3mAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-8.376
PaDELAATSC4mAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D0.828
PaDELAATSC5mAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.19
PaDELAATSC6mAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D5.618
PaDELAATSC7mAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-15.297
PaDELAATSC8mAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D7.638
PaDELAATSC0vAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D50.38
PaDELAATSC1vAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-2.083
PaDELAATSC2vAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D0.166
PaDELAATSC3vAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-14.999
PaDELAATSC4vAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-1.952
PaDELAATSC5vAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D2.256
PaDELAATSC6vAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D9.987
PaDELAATSC7vAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-28.548
PaDELAATSC8vAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D6.528
PaDELAATSC0eAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.039
PaDELAATSC1eAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.003
PaDELAATSC2eAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.002
PaDELAATSC3eAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.002
PaDELAATSC4eAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.003
PaDELAATSC5eAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.004
PaDELAATSC6eAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.001
PaDELAATSC7eAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.004
PaDELAATSC8eAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.007
PaDELAATSC0pAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D0.225
PaDELAATSC1pAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.004
PaDELAATSC2pAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.005
PaDELAATSC3pAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.065
PaDELAATSC4pAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.018
PaDELAATSC5pAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.016
PaDELAATSC6pAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.043
PaDELAATSC7pAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-0.129
PaDELAATSC8pAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.007
PaDELAATSC0iAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D1.236
PaDELAATSC1iAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.016
PaDELAATSC2iAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.035
PaDELAATSC3iAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.353
PaDELAATSC4iAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.116
PaDELAATSC5iAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.097
PaDELAATSC6iAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.229
PaDELAATSC7iAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0.7
PaDELAATSC8iAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.003
PaDELAATSC0sAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D0.895
PaDELAATSC1sAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.14
PaDELAATSC2sAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.004
PaDELAATSC3sAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.1
PaDELAATSC4sAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D0.087
PaDELAATSC5sAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.102
PaDELAATSC6sAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.066
PaDELAATSC7sAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.178
PaDELAATSC8sAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.23
PaDELMATS1cMoran autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.398
PaDELMATS2cMoran autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0.065
PaDELMATS3cMoran autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D-0.054
PaDELMATS4cMoran autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.073
PaDELMATS5cMoran autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.075
PaDELMATS6cMoran autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.079
PaDELMATS7cMoran autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.123
PaDELMATS8cMoran autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.157
PaDELMATS1mMoran autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-0.072
PaDELMATS2mMoran autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-0.028
PaDELMATS3mMoran autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-0.271
PaDELMATS4mMoran autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D0.027
PaDELMATS5mMoran autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.006
PaDELMATS6mMoran autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.182
PaDELMATS7mMoran autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-0.495
PaDELMATS8mMoran autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0.247
PaDELMATS1vMoran autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-0.041
PaDELMATS2vMoran autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D0.003
PaDELMATS3vMoran autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-0.298
PaDELMATS4vMoran autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-0.039
PaDELMATS5vMoran autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.045
PaDELMATS6vMoran autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.198
PaDELMATS7vMoran autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-0.567
PaDELMATS8vMoran autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0.13
PaDELMATS1eMoran autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.078
PaDELMATS2eMoran autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.059
PaDELMATS3eMoran autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.054
PaDELMATS4eMoran autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.077
PaDELMATS5eMoran autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.097
PaDELMATS6eMoran autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.016
PaDELMATS7eMoran autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.097
PaDELMATS8eMoran autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.177
PaDELMATS1pMoran autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.019
PaDELMATS2pMoran autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.023
PaDELMATS3pMoran autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.291
PaDELMATS4pMoran autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.082
PaDELMATS5pMoran autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.072
PaDELMATS6pMoran autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.19
PaDELMATS7pMoran autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-0.572
PaDELMATS8pMoran autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.032
PaDELMATS1iMoran autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.013
PaDELMATS2iMoran autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.028
PaDELMATS3iMoran autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.286
PaDELMATS4iMoran autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.094
PaDELMATS5iMoran autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.078
PaDELMATS6iMoran autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.185
PaDELMATS7iMoran autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0.566
PaDELMATS8iMoran autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.002
PaDELMATS1sMoran autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.156
PaDELMATS2sMoran autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.005
PaDELMATS3sMoran autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.112
PaDELMATS4sMoran autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D0.097
PaDELMATS5sMoran autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.114
PaDELMATS6sMoran autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.074
PaDELMATS7sMoran autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.199
PaDELMATS8sMoran autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.257
PaDELGATS1cGeary autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D1.339
PaDELGATS2cGeary autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.902
PaDELGATS3cGeary autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.752
PaDELGATS4cGeary autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.445
PaDELGATS5cGeary autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D1.14
PaDELGATS6cGeary autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.997
PaDELGATS7cGeary autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D1.128
PaDELGATS8cGeary autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.583
PaDELGATS1mGeary autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1.282
PaDELGATS2mGeary autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D1.074
PaDELGATS3mGeary autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1.283
PaDELGATS4mGeary autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D0.869
PaDELGATS5mGeary autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D0.943
PaDELGATS6mGeary autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.718
PaDELGATS7mGeary autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D1.524
PaDELGATS8mGeary autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0.56
PaDELGATS1vGeary autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D1.35
PaDELGATS2vGeary autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D1.096
PaDELGATS3vGeary autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D1.407
PaDELGATS4vGeary autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D0.993
PaDELGATS5vGeary autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.822
PaDELGATS6vGeary autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.684
PaDELGATS7vGeary autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D1.637
PaDELGATS8vGeary autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0.642
PaDELGATS1eGeary autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.041
PaDELGATS2eGeary autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.921
PaDELGATS3eGeary autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.62
PaDELGATS4eGeary autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.434
PaDELGATS5eGeary autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.372
PaDELGATS6eGeary autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.898
PaDELGATS7eGeary autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.997
PaDELGATS8eGeary autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.622
PaDELGATS1pGeary autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.372
PaDELGATS2pGeary autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.093
PaDELGATS3pGeary autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.419
PaDELGATS4pGeary autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.033
PaDELGATS5pGeary autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.784
PaDELGATS6pGeary autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.68
PaDELGATS7pGeary autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D1.657
PaDELGATS8pGeary autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.711
PaDELGATS1iGeary autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D1.374
PaDELGATS2iGeary autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D1.09
PaDELGATS3iGeary autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D1.411
PaDELGATS4iGeary autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D1.037
PaDELGATS5iGeary autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.78
PaDELGATS6iGeary autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.682
PaDELGATS7iGeary autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D1.654
PaDELGATS8iGeary autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.732
PaDELGATS1sGeary autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D1.133
PaDELGATS2sGeary autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.862
PaDELGATS3sGeary autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.713
PaDELGATS4sGeary autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D0.419
PaDELGATS5sGeary autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.367
PaDELGATS6sGeary autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.837
PaDELGATS7sGeary autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D1.151
PaDELGATS8sGeary autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.539
PaDELSpAbs_DzZGraph energy from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D62.879
PaDELSpMax_DzZLeading eigenvalue from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D31.564
PaDELSpDiam_DzZSpectral diameter from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D49.273
PaDELSpAD_DzZSpectral absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D63.083
PaDELSpMAD_DzZSpectral mean absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D5.735
PaDELEE_DzZEstrada-like index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D31.564
PaDELSM1_DzZSpectral moment of order 1 from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.25
PaDELVE1_DzZCoefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.032
PaDELVE2_DzZAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.003
PaDELVE3_DzZLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D-3.794
PaDELVR1_DzZRandic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D49.474
PaDELVR2_DzZNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D4.498
PaDELVR3_DzZLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D4.292
PaDELSpAbs_DzmGraph energy from Barysz matrix / weighted by massBarysz Matrix descriptor2D62.883
PaDELSpMax_DzmLeading eigenvalue from Barysz matrix / weighted by massBarysz Matrix descriptor2D31.566
PaDELSpDiam_DzmSpectral diameter from Barysz matrix / weighted by massBarysz Matrix descriptor2D49.275
PaDELSpAD_DzmSpectral absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D63.087
PaDELSpMAD_DzmSpectral mean absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D5.735
PaDELEE_DzmEstrada-like index from Barysz matrix / weighted by massBarysz Matrix descriptor2D31.566
PaDELSM1_DzmSpectral moment of order 1 from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.249
PaDELVE1_DzmCoefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.032
PaDELVE2_DzmAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.003
PaDELVE3_DzmLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D-3.796
PaDELVR1_DzmRandic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D49.478
PaDELVR2_DzmNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D4.498
PaDELVR3_DzmLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D4.292
PaDELSpAbs_DzvGraph energy from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D66.272
PaDELSpMax_DzvLeading eigenvalue from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D32.936
PaDELSpDiam_DzvSpectral diameter from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D50.971
PaDELSpAD_DzvSpectral absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D65.945
PaDELSpMAD_DzvSpectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D5.995
PaDELEE_DzvEstrada-like index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D32.936
PaDELSM1_DzvSpectral moment of order 1 from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-0.399
PaDELVE1_DzvCoefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.03
PaDELVE2_DzvAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.003
PaDELVE3_DzvLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-3.868
PaDELVR1_DzvRandic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D53.833
PaDELVR2_DzvNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D4.894
PaDELVR3_DzvLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D4.384
PaDELSpAbs_DzeGraph energy from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D62.887
PaDELSpMax_DzeLeading eigenvalue from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D31.568
PaDELSpDiam_DzeSpectral diameter from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D49.277
PaDELSpAD_DzeSpectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D63.09
PaDELSpMAD_DzeSpectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D5.735
PaDELEE_DzeEstrada-like index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D31.568
PaDELSM1_DzeSpectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.248
PaDELVE1_DzeCoefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.032
PaDELVE2_DzeAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.003
PaDELVE3_DzeLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D-3.798
PaDELVR1_DzeRandic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D49.481
PaDELVR2_DzeNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D4.498
PaDELVR3_DzeLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D4.292
PaDELSpAbs_DzpGraph energy from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D69.98
PaDELSpMax_DzpLeading eigenvalue from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D34.449
PaDELSpDiam_DzpSpectral diameter from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D52.949
PaDELSpAD_DzpSpectral absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D69.095
PaDELSpMAD_DzpSpectral mean absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D6.281
PaDELEE_DzpEstrada-like index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D34.449
PaDELSM1_DzpSpectral moment of order 1 from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-1.082
PaDELVE1_DzpCoefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.106
PaDELVE2_DzpAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.01
PaDELVE3_DzpLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-2.467
PaDELVR1_DzpRandic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D66.95
PaDELVR2_DzpNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D6.086
PaDELVR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D4.624
PaDELSpAbs_DziGraph energy from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D63.273
PaDELSpMax_DziLeading eigenvalue from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D31.723
PaDELSpDiam_DziSpectral diameter from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D49.466
PaDELSpAD_DziSpectral absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D63.415
PaDELSpMAD_DziSpectral mean absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D5.765
PaDELEE_DziEstrada-like index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D31.723
PaDELSM1_DziSpectral moment of order 1 from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.173
PaDELVE1_DziCoefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.025
PaDELVE2_DziAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.002
PaDELVE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D-4.058
PaDELVR1_DziRandic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D49.834
PaDELVR2_DziNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D4.53
PaDELVR3_DziLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D4.3
PaDELSpAbs_DzsGraph energy from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D68.388
PaDELSpMax_DzsLeading eigenvalue from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D34.463
PaDELSpDiam_DzsSpectral diameter from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D55.396
PaDELSpAD_DzsSpectral absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D68.828
PaDELSpMAD_DzsSpectral mean absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D6.257
PaDELEE_DzsEstrada-like index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D34.463
PaDELSM1_DzsSpectral moment of order 1 from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.538
PaDELVE1_DzsCoefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.051
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-3.274
PaDELVR1_DzsRandic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D45.077
PaDELVR2_DzsNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.098
PaDELVR3_DzsLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.189
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 descriptor2D11.9
PaDELBCUTw-1hnlow highest atom weighted BCUTSBCUT descriptor2D15.995
PaDELBCUTc-1lnhigh lowest partial charge weighted BCUTSBCUT descriptor2D-0.392
PaDELBCUTc-1hnlow highest partial charge weighted BCUTSBCUT descriptor2D0.118
PaDELBCUTp-1lnhigh lowest polarizability weighted BCUTSBCUT descriptor2D4.203
PaDELBCUTp-1hnlow highest polarizability weighted BCUTSBCUT descriptor2D8.476
PaDELnBondsNumber of bondsPaDEL Bond Count descriptor2D10
PaDELnBonds2Total number of bonds (including bonds to hydrogens)PaDEL Bond Count descriptor2D28
PaDELnBondsSNumber of single bonds (including bonds with hydrogen)PaDEL Bond Count descriptor2D26
PaDELnBondsS2Total number of single bondsPaDEL Bond Count descriptor2D26
PaDELnBondsS3Total number of single bondsPaDEL Bond Count descriptor2D8
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 descriptor2D19.678
PaDELSpMax1_BhmLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D3.625
PaDELSpMax2_BhmLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D3.437
PaDELSpMax3_BhmLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D2.928
PaDELSpMax4_BhmLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D2.66
PaDELSpMax5_BhmLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D2.334
PaDELSpMax6_BhmLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D2.126
PaDELSpMax7_BhmLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D1.913
PaDELSpMax8_BhmLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D1.396
PaDELSpMin1_BhmSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D1.918
PaDELSpMin2_BhmSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D1.761
PaDELSpMin3_BhmSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D1.441
PaDELSpMin4_BhmSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D1.326
PaDELSpMin5_BhmSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D1.25
PaDELSpMin6_BhmSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D0.945
PaDELSpMin7_BhmSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D0.67
PaDELSpMin8_BhmSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.542
PaDELSpMax1_BhvLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.639
PaDELSpMax2_BhvLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.447
PaDELSpMax3_BhvLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.908
PaDELSpMax4_BhvLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.661
PaDELSpMax5_BhvLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.405
PaDELSpMax6_BhvLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.166
PaDELSpMax7_BhvLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.869
PaDELSpMax8_BhvLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.452
PaDELSpMin1_BhvSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.874
PaDELSpMin2_BhvSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.714
PaDELSpMin3_BhvSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.387
PaDELSpMin4_BhvSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.253
PaDELSpMin5_BhvSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.135
PaDELSpMin6_BhvSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.846
PaDELSpMin7_BhvSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.607
PaDELSpMin8_BhvSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.408
PaDELSpMax1_BheLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.726
PaDELSpMax2_BheLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.547
PaDELSpMax3_BheLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.123
PaDELSpMax4_BheLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.916
PaDELSpMax5_BheLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.704
PaDELSpMax6_BheLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.454
PaDELSpMax7_BheLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.219
PaDELSpMax8_BheLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.868
PaDELSpMin1_BheSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.739
PaDELSpMin2_BheSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.557
PaDELSpMin3_BheSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.111
PaDELSpMin4_BheSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.922
PaDELSpMin5_BheSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.76
PaDELSpMin6_BheSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.486
PaDELSpMin7_BheSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.184
PaDELSpMin8_BheSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.079
PaDELSpMax1_BhpLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.651
PaDELSpMax2_BhpLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.459
PaDELSpMax3_BhpLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.926
PaDELSpMax4_BhpLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.684
PaDELSpMax5_BhpLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.458
PaDELSpMax6_BhpLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.208
PaDELSpMax7_BhpLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.886
PaDELSpMax8_BhpLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.514
PaDELSpMin1_BhpSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.847
PaDELSpMin2_BhpSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.686
PaDELSpMin3_BhpSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.357
PaDELSpMin4_BhpSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.201
PaDELSpMin5_BhpSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.058
PaDELSpMin6_BhpSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.784
PaDELSpMin7_BhpSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.567
PaDELSpMin8_BhpSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.32
PaDELSpMax1_BhiLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.767
PaDELSpMax2_BhiLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.592
PaDELSpMax3_BhiLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.191
PaDELSpMax4_BhiLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.011
PaDELSpMax5_BhiLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.839
PaDELSpMax6_BhiLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.572
PaDELSpMax7_BhiLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.32
PaDELSpMax8_BhiLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.035
PaDELSpMin1_BhiSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.701
PaDELSpMin2_BhiSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.515
PaDELSpMin3_BhiSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.039
PaDELSpMin4_BhiSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.829
PaDELSpMin5_BhiSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.631
PaDELSpMin6_BhiSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.371
PaDELSpMin7_BhiSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.077
PaDELSpMin8_BhiSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.246
PaDELSpMax1_BhsLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D4.11
PaDELSpMax2_BhsLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.632
PaDELSpMax3_BhsLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.43
PaDELSpMax4_BhsLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.86
PaDELSpMax5_BhsLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.596
PaDELSpMax6_BhsLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.531
PaDELSpMax7_BhsLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.223
PaDELSpMax8_BhsLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.711
PaDELSpMin1_BhsSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.83
PaDELSpMin2_BhsSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.603
PaDELSpMin3_BhsSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.249
PaDELSpMin4_BhsSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.034
PaDELSpMin5_BhsSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.913
PaDELSpMin6_BhsSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.668
PaDELSpMin7_BhsSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.315
PaDELSpMin8_BhsSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.185
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 descriptor2D0
PaDELC2SP2Doubly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D2
PaDELC3SP2Doubly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D2
PaDELC1SP3Singly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D4
PaDELC2SP3Singly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D2
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 descriptor2D0.697
PaDELSC-4Simple cluster, order 4ChiCluster descriptor2D0
PaDELSC-5Simple cluster, order 5ChiCluster descriptor2D0
PaDELSC-6Simple cluster, order 6ChiCluster descriptor2D0
PaDELVC-3Valence cluster, order 3ChiCluster descriptor2D0.493
PaDELVC-4Valence cluster, order 4ChiCluster descriptor2D0
PaDELVC-5Valence cluster, order 5ChiCluster descriptor2D0
PaDELVC-6Valence cluster, order 6ChiCluster descriptor2D0
PaDELSPC-4Simple path cluster, order 4ChiPathCluster descriptor2D0.697
PaDELSPC-5Simple path cluster, order 5ChiPathCluster descriptor2D0.697
PaDELSPC-6Simple path cluster, order 6ChiPathCluster descriptor2D0.448
PaDELVPC-4Valence path cluster, order 4ChiPathCluster descriptor2D0.493
PaDELVPC-5Valence path cluster, order 5ChiPathCluster descriptor2D0.394
PaDELVPC-6Valence path cluster, order 6ChiPathCluster descriptor2D0.218
PaDELSP-0Simple path, order 0PaDEL ChiPath descriptor2D8.69
PaDELSP-1Simple path, order 1PaDEL ChiPath descriptor2D5.164
PaDELSP-2Simple path, order 2PaDEL ChiPath descriptor2D4.219
PaDELSP-3Simple path, order 3PaDEL ChiPath descriptor2D2.26
PaDELSP-4Simple path, order 4PaDEL ChiPath descriptor2D1.512
PaDELSP-5Simple path, order 5PaDEL ChiPath descriptor2D0.683
PaDELSP-6Simple path, order 6PaDEL ChiPath descriptor2D0.563
PaDELSP-7Simple path, order 7PaDEL ChiPath descriptor2D0.177
PaDELASP-0Average simple path, order 0PaDEL ChiPath descriptor2D0.79
PaDELASP-1Average simple path, order 1PaDEL ChiPath descriptor2D0.516
PaDELASP-2Average simple path, order 2PaDEL ChiPath descriptor2D0.384
PaDELASP-3Average simple path, order 3PaDEL ChiPath descriptor2D0.251
PaDELASP-4Average simple path, order 4PaDEL ChiPath descriptor2D0.189
PaDELASP-5Average simple path, order 5PaDEL ChiPath descriptor2D0.114
PaDELASP-6Average simple path, order 6PaDEL ChiPath descriptor2D0.094
PaDELASP-7Average simple path, order 7PaDEL ChiPath descriptor2D0.059
PaDELVP-0Valence path, order 0PaDEL ChiPath descriptor2D7.723
PaDELVP-1Valence path, order 1PaDEL ChiPath descriptor2D4.064
PaDELVP-2Valence path, order 2PaDEL ChiPath descriptor2D3.053
PaDELVP-3Valence path, order 3PaDEL ChiPath descriptor2D1.531
PaDELVP-4Valence path, order 4PaDEL ChiPath descriptor2D0.846
PaDELVP-5Valence path, order 5PaDEL ChiPath descriptor2D0.363
PaDELVP-6Valence path, order 6PaDEL ChiPath descriptor2D0.283
PaDELVP-7Valence path, order 7PaDEL ChiPath descriptor2D0.072
PaDELAVP-0Average valence path, order 0PaDEL ChiPath descriptor2D0.702
PaDELAVP-1Average valence path, order 1PaDEL ChiPath descriptor2D0.406
PaDELAVP-2Average valence path, order 2PaDEL ChiPath descriptor2D0.278
PaDELAVP-3Average valence path, order 3PaDEL ChiPath descriptor2D0.17
PaDELAVP-4Average valence path, order 4PaDEL ChiPath descriptor2D0.106
PaDELAVP-5Average valence path, order 5PaDEL ChiPath descriptor2D0.06
PaDELAVP-6Average valence path, order 6PaDEL ChiPath descriptor2D0.047
PaDELAVP-7Average valence path, order 7PaDEL ChiPath descriptor2D0.024
PaDELSvSum of atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D15.591
PaDELSseSum of atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D28.321
PaDELSpeSum of atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D26.878
PaDELSareSum of atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D27.24
PaDELSpSum of atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D17.667
PaDELSiSum of first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D222.152
PaDELMvMean atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D0.538
PaDELMseMean atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D0.977
PaDELMpeMean atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D0.927
PaDELMareMean atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D0.939
PaDELMpMean atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D0.609
PaDELMiMean first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D7.66
PaDELCrippenLogPCrippen's LogPCrippen descriptor2D2.524
PaDELCrippenMRCrippen's molar refractivityCrippen descriptor2D48.968
PaDELSpMax_DtLeading eigenvalue from detour matrixDetour Matrix descriptor2D36.591
PaDELSpDiam_DtSpectral diameter from detour matrixDetour Matrix descriptor2D56.856
PaDELSpAD_DtSpectral absolute deviation from detour matrixDetour Matrix descriptor2D73.181
PaDELSpMAD_DtSpectral mean absolute deviation from detour matrixDetour Matrix descriptor2D6.653
PaDELEE_DtEstrada-like index from detour matrixDetour Matrix descriptor2D36.591
PaDELVE1_DtCoefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.016
PaDELVE2_DtAverage coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.001
PaDELVE3_DtLogarithmic coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D-4.549
PaDELVR1_DtRandic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D55.098
PaDELVR2_DtNormalized Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D5.009
PaDELVR3_DtLogarithmic Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D4.41
PaDELECCENA topological descriptor combining distance and adjacency informationEccentric Connectivity Index descriptor2D122
PaDELnHBdCount of E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D1
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 descriptor2D1
PaDELnwHBaCount of E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D4
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 descriptor2D1
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 descriptor2D2
PaDELnHCsatuCount of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D6
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 descriptor2D3
PaDELndCH2Count of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnssCH2Count of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D3
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 descriptor2D2
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 descriptor2D1
PaDELndOCount of atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELnssOCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
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 descriptor2D0.66
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 descriptor2D8.553
PaDELSwHBaSum of E-States for weak hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D6.708
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 descriptor2D0.66
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 descriptor2D0.692
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 descriptor2D0.735
PaDELSHCsatuSum of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D2.264
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 descriptor2D0.692
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 descriptor2D6.255
PaDELSdCH2Sum of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSssCH2Sum of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D2.317
PaDELStCHSum of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSdsCHSum of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D4.077
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 descriptor2D2.631
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 descriptor2D8.553
PaDELSdOSum of atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELSssOSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
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 descriptor2D0.66
PaDELminwHBdMinimum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminHBaMinimum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D8.553
PaDELminwHBaMinimum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D1.269
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 descriptor2D0.66
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 descriptor2D0.303
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 descriptor2D0.361
PaDELminHCsatuMinimum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.315
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 descriptor2D0.303
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 descriptor2D2.051
PaDELmindCH2Minimum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminssCH2Minimum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.167
PaDELmintCHMinimum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmindsCHMinimum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D1.86
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 descriptor2D1.269
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 descriptor2D8.553
PaDELmindOMinimum atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELminssOMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
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 descriptor2D0.66
PaDELmaxwHBdMaximum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxHBaMaximum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D8.553
PaDELmaxwHBaMaximum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D2.217
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 descriptor2D0.66
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 descriptor2D0.389
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 descriptor2D0.374
PaDELmaxHCsatuMaximum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.552
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 descriptor2D0.389
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 descriptor2D2.102
PaDELmaxdCH2Maximum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssCH2Maximum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D1.088
PaDELmaxtCHMaximum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxdsCHMaximum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D2.217
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 descriptor2D1.363
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 descriptor2D8.553
PaDELmaxdOMaximum atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELmaxssOMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
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 descriptor2D23.833
PaDELmeanIMean intrinsic state values IElectrotopological State Atom Type descriptor2D2.167
PaDELhmaxMaximum H E-StateElectrotopological State Atom Type descriptor2D0.66
PaDELgmaxMaximum E-StateElectrotopological State Atom Type descriptor2D8.553
PaDELhminMinimum H E-StateElectrotopological State Atom Type descriptor2D0.081
PaDELgminMinimum E-StateElectrotopological State Atom Type descriptor2D0.167
PaDELLipoaffinityIndexLipoaffinity indexElectrotopological State Atom Type descriptor2D4.589
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 descriptor2D1.333
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 descriptor2D2.553
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 descriptor2D6.051
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 descriptor2D1.333
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 descriptor2D2.553
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 descriptor2D6.051
PaDELETA_AlphaSum of alpha values of all non-hydrogen vertices of a moleculeExtended Topochemical Atom descriptor2D5.333
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 descriptor2D0.478
PaDELETA_Epsilon_2A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.77
PaDELETA_Epsilon_3A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.426
PaDELETA_Epsilon_4A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.457
PaDELETA_Epsilon_5A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.731
PaDELETA_dEpsilon_AA measure of contribution of unsaturation and electronegative atom countExtended Topochemical Atom descriptor2D0.052
PaDELETA_dEpsilon_BA measure of contribution of unsaturationExtended Topochemical Atom descriptor2D0.022
PaDELETA_dEpsilon_CA measure of contribution of electronegativityExtended Topochemical Atom descriptor2D-0.031
PaDELETA_dEpsilon_DA measure of contribution of hydrogen bond donor atomsExtended Topochemical Atom descriptor2D0.039
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 descriptor2D0.344
PaDELETA_Shape_YShape index YExtended Topochemical Atom descriptor2D0.188
PaDELETA_Shape_XShape index XExtended Topochemical Atom descriptor2D0
PaDELETA_BetaA measure of electronic features of the moleculeExtended Topochemical Atom descriptor2D7.25
PaDELETA_BetaPA measure of electronic features of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.659
PaDELETA_Beta_sA measure of electronegative atom count of the moleculeExtended Topochemical Atom descriptor2D5.25
PaDELETA_BetaP_sA measure of electronegative atom count of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.477
PaDELETA_Beta_nsA measure of electron-richness of the moleculeExtended Topochemical Atom descriptor2D2
PaDELETA_BetaP_nsA measure of electron-richness of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.182
PaDELETA_dBetaA measure of relative unsaturation contentExtended Topochemical Atom descriptor2D-3.25
PaDELETA_dBetaPA measure of relative unsaturation content relative to molecular sizeExtended Topochemical Atom descriptor2D-0.295
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 descriptor2D10.193
PaDELETA_EtaPComposite index Eta relative to molecular sizeExtended Topochemical Atom descriptor2D0.927
PaDELETA_Eta_RComposite index Eta for reference alkaneExtended Topochemical Atom descriptor2D13.534
PaDELETA_Eta_FFunctionality index EtaFExtended Topochemical Atom descriptor2D3.341
PaDELETA_EtaP_FFunctionality index EtaF relative to molecular sizeExtended Topochemical Atom descriptor2D0.304
PaDELETA_Eta_LLocal index Eta_localExtended Topochemical Atom descriptor2D3.697
PaDELETA_EtaP_LLocal index Eta_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.336
PaDELETA_Eta_R_LLocal index Eta_local for reference alkaneExtended Topochemical Atom descriptor2D5.164
PaDELETA_Eta_F_LLocal functionality contribution EtaF_localExtended Topochemical Atom descriptor2D1.467
PaDELETA_EtaP_F_LLocal functionality contribution EtaF_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.133
PaDELETA_Eta_BBranching index EtaBExtended Topochemical Atom descriptor2D0.25
PaDELETA_EtaP_BBranching index EtaB relative to molecular sizeExtended Topochemical Atom descriptor2D0.023
PaDELETA_Eta_B_RCBranching index EtaB (with ring correction)Extended Topochemical Atom descriptor2D0.25
PaDELETA_EtaP_B_RCBranching index EtaB (with ring correction) relative to molecular sizeExtended Topochemical Atom descriptor2D0.023
PaDELFMFComplexity of a moleculeFMF descriptor2D0
PaDELfragCComplexity of a systemPaDEL Fragment Complexity descriptor2D10.01
PaDELnHBAccNumber of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)PaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc2Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc3Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc_LipinskiNumber of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBDonNumber of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)PaDEL HBond Donor Count descriptor2D1
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 descriptor2D1
PaDELHybRatioFraction of sp3 carbons to sp2 carbonsHybridization Ratio descriptor2D0.6
PaDELIC0Information content index (neighborhood symmetry of 0-order)Information Content descriptor2D1.124
PaDELIC1Information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.397
PaDELIC2Information content index (neighborhood symmetry of 2-order)Information Content descriptor2D3.296
PaDELIC3Information content index (neighborhood symmetry of 3-order)Information Content descriptor2D3.598
PaDELIC4Information content index (neighborhood symmetry of 4-order)Information Content descriptor2D3.814
PaDELIC5Information content index (neighborhood symmetry of 5-order)Information Content descriptor2D3.788
PaDELTIC0Total information content index (neighborhood symmetry of 0-order)Information Content descriptor2D32.604
PaDELTIC1Total information content index (neighborhood symmetry of 1-order)Information Content descriptor2D69.523
PaDELTIC2Total information content index (neighborhood symmetry of 2-order)Information Content descriptor2D95.597
PaDELTIC3Total information content index (neighborhood symmetry of 3-order)Information Content descriptor2D104.352
PaDELTIC4Total information content index (neighborhood symmetry of 4-order)Information Content descriptor2D110.617
PaDELTIC5Total information content index (neighborhood symmetry of 5-order)Information Content descriptor2D109.862
PaDELSIC0Structural information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.231
PaDELSIC1Structural information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.493
PaDELSIC2Structural information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.679
PaDELSIC3Structural information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.741
PaDELSIC4Structural information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.785
PaDELSIC5Structural information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.78
PaDELCIC0Complementary information content index (neighborhood symmetry of 0-order)Information Content descriptor2D3.734
PaDELCIC1Complementary information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.461
PaDELCIC2Complementary information content index (neighborhood symmetry of 2-order)Information Content descriptor2D1.562
PaDELCIC3Complementary information content index (neighborhood symmetry of 3-order)Information Content descriptor2D1.26
PaDELCIC4Complementary information content index (neighborhood symmetry of 4-order)Information Content descriptor2D1.044
PaDELCIC5Complementary information content index (neighborhood symmetry of 5-order)Information Content descriptor2D1.07
PaDELBIC0Bond information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.229
PaDELBIC1Bond information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.489
PaDELBIC2Bond information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.672
PaDELBIC3Bond information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.733
PaDELBIC4Bond information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.777
PaDELBIC5Bond information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.772
PaDELMIC0Modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D9.466
PaDELMIC1Modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D19.264
PaDELMIC2Modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D22.444
PaDELMIC3Modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D23.793
PaDELMIC4Modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D23.252
PaDELMIC5Modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D22.94
PaDELZMIC0Z-modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D40.808
PaDELZMIC1Z-modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D26.097
PaDELZMIC2Z-modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D21.994
PaDELZMIC3Z-modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D19.388
PaDELZMIC4Z-modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D19.693
PaDELZMIC5Z-modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D20.407
PaDELKier1First kappa shape indexKappaShape Indices descriptor2D11
PaDELKier2Second kappa shape indexKappaShape Indices descriptor2D6.694
PaDELKier3Third kappa (κ) shape indexKappaShape Indices descriptor2D7.901
PaDELnAtomLCNumber of atoms in the largest chainLargest Chain descriptor2D11
PaDELnAtomPNumber of atoms in the largest pi systemLargest Pi System descriptor2D2
PaDELnAtomLACNumber of atoms in the longest aliphatic chainLongest Aliphatic Chain descriptor2D8
PaDELMLogPMannhold LogPMannhold LogP descriptor2D2.45
PaDELMcGowan_VolumeMcGowan characteristic volumeMcGowan Volume descriptor2D1.49
PaDELMDEC-11Molecular distance edge between all primary carbonsMDE descriptor2D0.721
PaDELMDEC-12Molecular distance edge between all primary and secondary carbonsMDE descriptor2D4.283
PaDELMDEC-13Molecular distance edge between all primary and tertiary carbonsMDE descriptor2D2.683
PaDELMDEC-14Molecular distance edge between all primary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-22Molecular distance edge between all secondary carbonsMDE descriptor2D4.509
PaDELMDEC-23Molecular distance edge between all secondary and tertiary carbonsMDE descriptor2D4.64
PaDELMDEC-24Molecular distance edge between all secondary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-33Molecular distance edge between all tertiary carbonsMDE descriptor2D0.25
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
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 descriptor2D0.348
PaDELMLFER_BHOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.421
PaDELMLFER_BOOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.399
PaDELMLFER_SCombined dipolarity/polarizabilityMLFER descriptor2D0.601
PaDELMLFER_EExcessive molar refractionMLFER descriptor2D0.493
PaDELMLFER_LSolute gas-hexadecane partition coefficientMLFER descriptor2D5.448
PaDELMPC2Molecular path count of order 2Path Count descriptor2D11
PaDELMPC3Molecular path count of order 3Path Count descriptor2D9
PaDELMPC4Molecular path count of order 4Path Count descriptor2D8
PaDELMPC5Molecular path count of order 5Path Count descriptor2D6
PaDELMPC6Molecular path count of order 6Path Count descriptor2D6
PaDELMPC7Molecular path count of order 7Path Count descriptor2D3
PaDELMPC8Molecular path count of order 8Path Count descriptor2D2
PaDELMPC9Molecular path count of order 9Path Count descriptor2D0
PaDELMPC10Molecular path count of order 10Path Count descriptor2D0
PaDELTPCTotal path count (up to order 10)Path Count descriptor2D66
PaDELpiPC1Conventional bond order ID number of order 1Path Count descriptor2D2.565
PaDELpiPC2Conventional bond order ID number of order 2Path Count descriptor2D2.89
PaDELpiPC3Conventional bond order ID number of order 3Path Count descriptor2D2.833
PaDELpiPC4Conventional bond order ID number of order 4Path Count descriptor2D2.773
PaDELpiPC5Conventional bond order ID number of order 5Path Count descriptor2D2.708
PaDELpiPC6Conventional bond order ID number of order 6Path Count descriptor2D2.944
PaDELpiPC7Conventional bond order ID number of order 7Path Count descriptor2D2.565
PaDELpiPC8Conventional bond order ID number of order 8Path Count descriptor2D2.197
PaDELpiPC9Conventional bond order ID number of order 9Path Count descriptor2D0
PaDELpiPC10Conventional bond order ID number of order 10Path Count descriptor2D0
PaDELTpiPCTotal conventional bond orderPath Count descriptor2D4.82
PaDELR_TpiPCTPCRatio of total conventional bond order (up to order 10) with total path count (up to order 10)Path Count descriptor2D1.864
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 descriptor2D4
PaDELRotBFracFraction of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.4
PaDELnRotBtNumber of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D8
PaDELRotBtFracFraction of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.8
PaDELLipinskiFailuresNumber failures of the Lipinski's Rule Of 5Rule Of Five descriptor2D0
PaDELtopoRadiusTopological radius (minimum atom eccentricity)Topological descriptor2D4
PaDELtopoDiameterTopological diameterTopological descriptor2D8
PaDELtopoShapePetitjean topological shape indexTopological descriptor2D1
PaDELGGI1Topological charge index of order 1Topological Charge descriptor2D2.5
PaDELGGI2Topological charge index of order 2Topological Charge descriptor2D0.889
PaDELGGI3Topological charge index of order 3Topological Charge descriptor2D0.5
PaDELGGI4Topological charge index of order 4Topological Charge descriptor2D0.16
PaDELGGI5Topological charge index of order 5Topological Charge descriptor2D0.222
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
PaDELGGI9Topological charge index of order 9Topological Charge descriptor2D0
PaDELGGI10Topological charge index of order 10Topological Charge descriptor2D0
PaDELJGI1Mean topological charge index of order 1Topological Charge descriptor2D0.25
PaDELJGI2Mean topological charge index of order 2Topological Charge descriptor2D0.081
PaDELJGI3Mean topological charge index of order 3Topological Charge descriptor2D0.056
PaDELJGI4Mean topological charge index of order 4Topological Charge descriptor2D0.02
PaDELJGI5Mean topological charge index of order 5Topological Charge descriptor2D0.037
PaDELJGI6Mean topological charge index of order 6Topological Charge descriptor2D0.014
PaDELJGI7Mean topological charge index of order 7Topological Charge descriptor2D0.021
PaDELJGI8Mean topological charge index of order 8Topological Charge descriptor2D0
PaDELJGI9Mean topological charge index of order 9Topological Charge descriptor2D0
PaDELJGI10Mean topological charge index of order 10Topological Charge descriptor2D0
PaDELJGTGlobal topological charge indexTopological Charge descriptor2D0.478
PaDELSpMax_DLeading eigenvalue from topological distance matrixTopological Distance Matrix descriptor2D36.591
PaDELSpDiam_DSpectral diameter from topological distance matrixTopological Distance Matrix descriptor2D56.856
PaDELSpAD_DSpectral absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D73.181
PaDELSpMAD_DSpectral mean absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D6.653
PaDELEE_DEstrada-like index from topological distance matrixTopological Distance Matrix descriptor2D36.591
PaDELVE1_DCoefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.016
PaDELVE2_DAverage coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.001
PaDELVE3_DLogarithmic coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D-4.549
PaDELVR1_DRandic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D55.098
PaDELVR2_DNormalized Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D5.009
PaDELVR3_DLogarithmic Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D4.41
PaDELTopoPSATopological polar surface areaTPSA descriptor2D20.23
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 descriptor2D185.034
PaDELVAdjMatVertex adjacency information (magnitude)VAdjMa descriptor2D4.459
PaDELMWC2Molecular walk count of order 2WalkCount descriptor2D3.761
PaDELMWC3Molecular walk count of order 3WalkCount descriptor2D4.419
PaDELMWC4Molecular walk count of order 4WalkCount descriptor2D5.153
PaDELMWC5Molecular walk count of order 5WalkCount descriptor2D5.832
PaDELMWC6Molecular walk count of order 6WalkCount descriptor2D6.572
PaDELMWC7Molecular walk count of order 7WalkCount descriptor2D7.258
PaDELMWC8Molecular walk count of order 8WalkCount descriptor2D8
PaDELMWC9Molecular walk count of order 9WalkCount descriptor2D8.688
PaDELMWC10Molecular walk count of order 10WalkCount descriptor2D9.431
PaDELTWCTotal walk count (up to order 10)WalkCount descriptor2D80.114
PaDELSRW2Self-returning walk count of order 2WalkCount descriptor2D3.045
PaDELSRW3Self-returning walk count of order 3WalkCount descriptor2D0
PaDELSRW4Self-returning walk count of order 4WalkCount descriptor2D4.174
PaDELSRW5Self-returning walk count of order 5WalkCount descriptor2D0
PaDELSRW6Self-returning walk count of order 6WalkCount descriptor2D5.442
PaDELSRW7Self-returning walk count of order 7WalkCount descriptor2D0
PaDELSRW8Self-returning walk count of order 8WalkCount descriptor2D6.772
PaDELSRW9Self-returning walk count of order 9WalkCount descriptor2D0
PaDELSRW10Self-returning walk count of order 10WalkCount descriptor2D8.132
PaDELTSRWTotal self-return walk countWalkCount descriptor2D8.433
PaDELMWMolecular weightPaDEL Weight descriptor2D154.136
PaDELAMWAverage molecular weight (Molecular weight / Total number of atoms)PaDEL Weight descriptor2D5.315
PaDELWTPT-1Molecular IDPaDEL Weighted Path descriptor2D20.486
PaDELWTPT-2Molecular ID / number of atomsPaDEL Weighted Path descriptor2D1.862
PaDELWTPT-3Sum of path lengths starting from heteroatomsPaDEL Weighted Path descriptor2D2.404
PaDELWTPT-4Sum of path lengths starting from oxygensPaDEL Weighted Path descriptor2D2.404
PaDELWTPT-5Sum of path lengths starting from nitrogensPaDEL Weighted Path descriptor2D0
PaDELWPATHWeiner path numberWiener Numbers descriptor2D194
PaDELWPOLWeiner polarity numberWiener Numbers descriptor2D9
PaDELXLogPXLogPXLogP descriptor2D2.524
PaDELZagrebSum of the squares of atom degree over all heavy atoms iZagreb Index descriptor2D42
PaDELTDB1u3D topological distance based autocorrelation - lag 1 / unweightedAuto correlation 3D descriptor3D1.223
PaDELTDB2u3D topological distance based autocorrelation - lag 2 / unweightedAuto correlation 3D descriptor3D2.13
PaDELTDB3u3D topological distance based autocorrelation - lag 3 / unweightedAuto correlation 3D descriptor3D3.024
PaDELTDB4u3D topological distance based autocorrelation - lag 4 / unweightedAuto correlation 3D descriptor3D3.729
PaDELTDB5u3D topological distance based autocorrelation - lag 5 / unweightedAuto correlation 3D descriptor3D4.507
PaDELTDB6u3D topological distance based autocorrelation - lag 6 / unweightedAuto correlation 3D descriptor3D5.541
PaDELTDB7u3D topological distance based autocorrelation - lag 7 / unweightedAuto correlation 3D descriptor3D6.844
PaDELTDB8u3D topological distance based autocorrelation - lag 8 / unweightedAuto correlation 3D descriptor3D7.286
PaDELTDB9u3D topological distance based autocorrelation - lag 9 / unweightedAuto correlation 3D descriptor3D8.308
PaDELTDB10u3D topological distance based autocorrelation - lag 10 / unweightedAuto correlation 3D descriptor3D8.222
PaDELTDB1m3D topological distance based autocorrelation - lag 1 / weighted by massAuto correlation 3D descriptor3D86.663
PaDELTDB2m3D topological distance based autocorrelation - lag 2 / weighted by massAuto correlation 3D descriptor3D98.259
PaDELTDB3m3D topological distance based autocorrelation - lag 3 / weighted by massAuto correlation 3D descriptor3D109.436
PaDELTDB4m3D topological distance based autocorrelation - lag 4 / weighted by massAuto correlation 3D descriptor3D107.143
PaDELTDB5m3D topological distance based autocorrelation - lag 5 / weighted by massAuto correlation 3D descriptor3D111.736
PaDELTDB6m3D topological distance based autocorrelation - lag 6 / weighted by massAuto correlation 3D descriptor3D157.046
PaDELTDB7m3D topological distance based autocorrelation - lag 7 / weighted by massAuto correlation 3D descriptor3D183.308
PaDELTDB8m3D topological distance based autocorrelation - lag 8 / weighted by massAuto correlation 3D descriptor3D113.62
PaDELTDB9m3D topological distance based autocorrelation - lag 9 / weighted by massAuto correlation 3D descriptor3D54.605
PaDELTDB10m3D topological distance based autocorrelation - lag 10 / weighted by massAuto correlation 3D descriptor3D8.354
PaDELTDB1v3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation 3D descriptor3D294.98
PaDELTDB2v3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation 3D descriptor3D373.994
PaDELTDB3v3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation 3D descriptor3D471.807
PaDELTDB4v3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation 3D descriptor3D456.524
PaDELTDB5v3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation 3D descriptor3D503.636
PaDELTDB6v3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation 3D descriptor3D648.121
PaDELTDB7v3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation 3D descriptor3D903.082
PaDELTDB8v3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation 3D descriptor3D533.818
PaDELTDB9v3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumesAuto correlation 3D descriptor3D451.012
PaDELTDB10v3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumesAuto correlation 3D descriptor3D255.574
PaDELTDB1e3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D9.138
PaDELTDB2e3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D15.544
PaDELTDB3e3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D21.836
PaDELTDB4e3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D26.524
PaDELTDB5e3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D32.686
PaDELTDB6e3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D39.689
PaDELTDB7e3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D49.881
PaDELTDB8e3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D51.271
PaDELTDB9e3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D62.923
PaDELTDB10e3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D55.24
PaDELTDB1p3D topological distance based autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.147
PaDELTDB2p3D topological distance based autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.91
PaDELTDB3p3D topological distance based autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.87
PaDELTDB4p3D topological distance based autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.885
PaDELTDB5p3D topological distance based autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.31
PaDELTDB6p3D topological distance based autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation 3D descriptor3D5.452
PaDELTDB7p3D topological distance based autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation 3D descriptor3D7.782
PaDELTDB8p3D topological distance based autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation 3D descriptor3D5.158
PaDELTDB9p3D topological distance based autocorrelation - lag 9 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.454
PaDELTDB10p3D topological distance based autocorrelation - lag 10 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.656
PaDELTDB1i3D topological distance based autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation 3D descriptor3D176.003
PaDELTDB2i3D topological distance based autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation 3D descriptor3D329.013
PaDELTDB3i3D topological distance based autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation 3D descriptor3D466.906
PaDELTDB4i3D topological distance based autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation 3D descriptor3D607.061
PaDELTDB5i3D topological distance based autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation 3D descriptor3D750.8
PaDELTDB6i3D topological distance based autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation 3D descriptor3D922.317
PaDELTDB7i3D topological distance based autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation 3D descriptor3D1070.533
PaDELTDB8i3D topological distance based autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation 3D descriptor3D1260.801
PaDELTDB9i3D topological distance based autocorrelation - lag 9 / weighted by first ionization potentialAuto correlation 3D descriptor3D1511.373
PaDELTDB10i3D topological distance based autocorrelation - lag 10 / weighted by first ionization potentialAuto correlation 3D descriptor3D1520.412
PaDELTDB1s3D topological distance based autocorrelation - lag 1 / weighted by I-stateAuto correlation 3D descriptor3D3.315
PaDELTDB2s3D topological distance based autocorrelation - lag 2 / weighted by I-stateAuto correlation 3D descriptor3D4.944
PaDELTDB3s3D topological distance based autocorrelation - lag 3 / weighted by I-stateAuto correlation 3D descriptor3D6.46
PaDELTDB4s3D topological distance based autocorrelation - lag 4 / weighted by I-stateAuto correlation 3D descriptor3D7.042
PaDELTDB5s3D topological distance based autocorrelation - lag 5 / weighted by I-stateAuto correlation 3D descriptor3D9.446
PaDELTDB6s3D topological distance based autocorrelation - lag 6 / weighted by I-stateAuto correlation 3D descriptor3D11.514
PaDELTDB7s3D topological distance based autocorrelation - lag 7 / weighted by I-stateAuto correlation 3D descriptor3D16.108
PaDELTDB8s3D topological distance based autocorrelation - lag 8 / weighted by I-stateAuto correlation 3D descriptor3D13.543
PaDELTDB9s3D topological distance based autocorrelation - lag 9 / weighted by I-stateAuto correlation 3D descriptor3D21.437
PaDELTDB10s3D topological distance based autocorrelation - lag 10 / weighted by I-stateAuto correlation 3D descriptor3D8.222
PaDELTDB1r3D topological distance based autocorrelation - lag 1 / weighted by covalent radiusAuto correlation 3D descriptor3D0.457
PaDELTDB2r3D topological distance based autocorrelation - lag 2 / weighted by covalent radiusAuto correlation 3D descriptor3D0.627
PaDELTDB3r3D topological distance based autocorrelation - lag 3 / weighted by covalent radiusAuto correlation 3D descriptor3D0.834
PaDELTDB4r3D topological distance based autocorrelation - lag 4 / weighted by covalent radiusAuto correlation 3D descriptor3D0.857
PaDELTDB5r3D topological distance based autocorrelation - lag 5 / weighted by covalent radiusAuto correlation 3D descriptor3D0.976
PaDELTDB6r3D topological distance based autocorrelation - lag 6 / weighted by covalent radiusAuto correlation 3D descriptor3D1.216
PaDELTDB7r3D topological distance based autocorrelation - lag 7 / weighted by covalent radiusAuto correlation 3D descriptor3D1.733
PaDELTDB8r3D topological distance based autocorrelation - lag 8 / weighted by covalent radiusAuto correlation 3D descriptor3D1.222
PaDELTDB9r3D topological distance based autocorrelation - lag 9 / weighted by covalent radiusAuto correlation 3D descriptor3D1.214
PaDELTDB10r3D topological distance based autocorrelation - lag 10 / weighted by covalent radiusAuto correlation 3D descriptor3D0.842
PaDELPPSA-1Partial positive surface area -- sum of surface area on positive parts of moleculeCPSA descriptor3D398.944
PaDELPPSA-2Partial positive surface area * total positive charge on the moleculeCPSA descriptor3D352.338
PaDELPPSA-3Charge weighted partial positive surface areaCPSA descriptor3D21.273
PaDELPNSA-1Partial negative surface area -- sum of surface area on negative parts of moleculeCPSA descriptor3D107.672
PaDELPNSA-2Partial negative surface area * total negative charge on the moleculeCPSA descriptor3D-95.093
PaDELPNSA-3Charge weighted partial negative surface areaCPSA descriptor3D-18.546
PaDELDPSA-1Difference of PPSA-1 and PNSA-1CPSA descriptor3D291.273
PaDELDPSA-2Difference of FPSA-2 and PNSA-2CPSA descriptor3D447.43
PaDELDPSA-3Difference of PPSA-3 and PNSA-3CPSA descriptor3D39.819
PaDELFPSA-1PPSA-1 / total molecular surface areaCPSA descriptor3D0.787
PaDELFPSA-2PPSA-2 / total molecular surface areaCPSA descriptor3D0.695
PaDELFPSA-3PPSA-3 / total molecular surface areaCPSA descriptor3D0.042
PaDELFNSA-1PNSA-1 / total molecular surface areaCPSA descriptor3D0.213
PaDELFNSA-2PNSA-2 / total molecular surface areaCPSA descriptor3D-0.188
PaDELFNSA-3PNSA-3 / total molecular surface areaCPSA descriptor3D-0.037
PaDELWPSA-1PPSA-1 * total molecular surface area / 1000CPSA descriptor3D202.111
PaDELWPSA-2PPSA-2 * total molecular surface area /1000CPSA descriptor3D178.5
PaDELWPSA-3PPSA-3 * total molecular surface area / 1000CPSA descriptor3D10.777
PaDELWNSA-1PNSA-1 * total molecular surface area /1000CPSA descriptor3D54.548
PaDELWNSA-2PNSA-2 * total molecular surface area / 1000CPSA descriptor3D-48.176
PaDELWNSA-3PNSA-3 * total molecular surface area / 1000CPSA descriptor3D-9.396
PaDELRPCGRelative positive charge -- most positive charge / total positive chargeCPSA descriptor3D0.238
PaDELRNCGRelative negative charge -- most negative charge / total negative chargeCPSA descriptor3D0.443
PaDELRPCSRelative positive charge surface area -- most positive surface area * RPCGCPSA descriptor3D9.107
PaDELRNCSRelative negative charge surface area -- most negative surface area * RNCGCPSA descriptor3D16.62
PaDELTHSASum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2CPSA descriptor3D430.866
PaDELTPSATopological polar surface areaMolecular property descriptor2D75.749
PaDELRHSATHSA / total molecular surface areaCPSA descriptor3D0.85
PaDELRPSATPSA / total molecular surface areaCPSA descriptor3D0.15
PaDELGRAV-1Gravitational index of heavy atomsGravitational Index descriptor3D696.547
PaDELGRAV-2Square root of gravitational index of heavy atomsGravitational Index descriptor3D26.392
PaDELGRAV-3Cube root of gravitational index of heavy atomsGravitational Index descriptor3D8.864
PaDELGRAVH-1Gravitational index - hydrogens includedGravitational Index descriptor3D883.75
PaDELGRAVH-2Square root of hydrogen-included gravitational indexGravitational Index descriptor3D29.728
PaDELGRAVH-3Cube root of hydrogen-included gravitational indexGravitational Index descriptor3D9.596
PaDELGRAV-4Gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D1190.484
PaDELGRAV-5Square root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D34.503
PaDELGRAV-6Cube root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D10.598
PaDELLOBMAXThe maximum L/B ratioLength Over Breadth descriptor3D1.776
PaDELLOBMINThe L/B ratio for the rotation that results in the minimum areaLength Over Breadth descriptor3D1.776
PaDELMOMI-XMoment of inertia along X axisMoment Of Inertia descriptor3D1537.858
PaDELMOMI-YMoment of inertia along Y axisMoment Of Inertia descriptor3D1369.624
PaDELMOMI-ZMoment of inertia along Z axisMoment Of Inertia descriptor3D237.375
PaDELMOMI-XYX/YMoment Of Inertia descriptor3D1.123
PaDELMOMI-XZX/ZMoment Of Inertia descriptor3D6.479
PaDELMOMI-YZY/ZMoment Of Inertia descriptor3D5.77
PaDELMOMI-RRadius of gyrationMoment Of Inertia descriptor3D5.688
PaDELgeomRadiusGeometrical radius (minimum geometric eccentricity)PaDEL Petitjean Shape Index descriptor3D5.388
PaDELgeomDiameterGeometrical diameterPaDEL Petitjean Shape Index descriptor3D9.856
PaDELgeomShapePetitjean geometric shape indexPaDEL Petitjean Shape Index descriptor3D0.829
PaDELRDF10uRadial distribution function - 010 / unweightedRDF descriptor3D7.889
PaDELRDF15uRadial distribution function - 015 / unweightedRDF descriptor3D7.597
PaDELRDF20uRadial distribution function - 020 / unweightedRDF descriptor3D5.571
PaDELRDF25uRadial distribution function - 025 / unweightedRDF descriptor3D16.073
PaDELRDF30uRadial distribution function - 030 / unweightedRDF descriptor3D10.505
PaDELRDF35uRadial distribution function - 035 / unweightedRDF descriptor3D12.546
PaDELRDF40uRadial distribution function - 040 / unweightedRDF descriptor3D9.873
PaDELRDF45uRadial distribution function - 045 / unweightedRDF descriptor3D14.01
PaDELRDF50uRadial distribution function - 050 / unweightedRDF descriptor3D9.488
PaDELRDF55uRadial distribution function - 055 / unweightedRDF descriptor3D8.439
PaDELRDF60uRadial distribution function - 060 / unweightedRDF descriptor3D4.951
PaDELRDF65uRadial distribution function - 065 / unweightedRDF descriptor3D3.88
PaDELRDF70uRadial distribution function - 070 / unweightedRDF descriptor3D12.012
PaDELRDF75uRadial distribution function - 075 / unweightedRDF descriptor3D7.415
PaDELRDF80uRadial distribution function - 080 / unweightedRDF descriptor3D2.557
PaDELRDF85uRadial distribution function - 085 / unweightedRDF descriptor3D2.398
PaDELRDF90uRadial distribution function - 090 / unweightedRDF descriptor3D3.988
PaDELRDF95uRadial distribution function - 095 / unweightedRDF descriptor3D2.738
PaDELRDF100uRadial distribution function - 100 / unweightedRDF descriptor3D0.125
PaDELRDF105uRadial distribution function - 105 / unweightedRDF descriptor3D0
PaDELRDF110uRadial distribution function - 110 / unweightedRDF descriptor3D0
PaDELRDF115uRadial distribution function - 115 / unweightedRDF descriptor3D0
PaDELRDF120uRadial distribution function - 120 / unweightedRDF descriptor3D0
PaDELRDF125uRadial distribution function - 125 / unweightedRDF descriptor3D0
PaDELRDF130uRadial distribution function - 130 / unweightedRDF descriptor3D0
PaDELRDF135uRadial distribution function - 135 / unweightedRDF descriptor3D0
PaDELRDF140uRadial distribution function - 140 / unweightedRDF descriptor3D0
PaDELRDF145uRadial distribution function - 145 / unweightedRDF descriptor3D0
PaDELRDF150uRadial distribution function - 150 / unweightedRDF descriptor3D0
PaDELRDF155uRadial distribution function - 155 / unweightedRDF descriptor3D0
PaDELRDF10mRadial distribution function - 010 / weighted by relative massRDF descriptor3D0.688
PaDELRDF15mRadial distribution function - 015 / weighted by relative massRDF descriptor3D7.764
PaDELRDF20mRadial distribution function - 020 / weighted by relative massRDF descriptor3D0.507
PaDELRDF25mRadial distribution function - 025 / weighted by relative massRDF descriptor3D8.933
PaDELRDF30mRadial distribution function - 030 / weighted by relative massRDF descriptor3D1.689
PaDELRDF35mRadial distribution function - 035 / weighted by relative massRDF descriptor3D2.082
PaDELRDF40mRadial distribution function - 040 / weighted by relative massRDF descriptor3D2.415
PaDELRDF45mRadial distribution function - 045 / weighted by relative massRDF descriptor3D1.72
PaDELRDF50mRadial distribution function - 050 / weighted by relative massRDF descriptor3D2.598
PaDELRDF55mRadial distribution function - 055 / weighted by relative massRDF descriptor3D1.836
PaDELRDF60mRadial distribution function - 060 / weighted by relative massRDF descriptor3D1.166
PaDELRDF65mRadial distribution function - 065 / weighted by relative massRDF descriptor3D0.204
PaDELRDF70mRadial distribution function - 070 / weighted by relative massRDF descriptor3D5.476
PaDELRDF75mRadial distribution function - 075 / weighted by relative massRDF descriptor3D1.352
PaDELRDF80mRadial distribution function - 080 / weighted by relative massRDF descriptor3D0.089
PaDELRDF85mRadial distribution function - 085 / weighted by relative massRDF descriptor3D0.891
PaDELRDF90mRadial distribution function - 090 / weighted by relative massRDF descriptor3D1.455
PaDELRDF95mRadial distribution function - 095 / weighted by relative massRDF descriptor3D0.142
PaDELRDF100mRadial distribution function - 100 / weighted by relative massRDF descriptor3D0.001
PaDELRDF105mRadial distribution function - 105 / weighted by relative massRDF descriptor3D0
PaDELRDF110mRadial distribution function - 110 / weighted by relative massRDF descriptor3D0
PaDELRDF115mRadial distribution function - 115 / weighted by relative massRDF descriptor3D0
PaDELRDF120mRadial distribution function - 120 / weighted by relative massRDF descriptor3D0
PaDELRDF125mRadial distribution function - 125 / weighted by relative massRDF descriptor3D0
PaDELRDF130mRadial distribution function - 130 / weighted by relative massRDF descriptor3D0
PaDELRDF135mRadial distribution function - 135 / weighted by relative massRDF descriptor3D0
PaDELRDF140mRadial distribution function - 140 / weighted by relative massRDF descriptor3D0
PaDELRDF145mRadial distribution function - 145 / weighted by relative massRDF descriptor3D0
PaDELRDF150mRadial distribution function - 150 / weighted by relative massRDF descriptor3D0
PaDELRDF155mRadial distribution function - 155 / weighted by relative massRDF descriptor3D0
PaDELRDF10vRadial distribution function - 010 / weighted by relative van der Waals volumesRDF descriptor3D2.065
PaDELRDF15vRadial distribution function - 015 / weighted by relative van der Waals volumesRDF descriptor3D7.433
PaDELRDF20vRadial distribution function - 020 / weighted by relative van der Waals volumesRDF descriptor3D1.358
PaDELRDF25vRadial distribution function - 025 / weighted by relative van der Waals volumesRDF descriptor3D9.514
PaDELRDF30vRadial distribution function - 030 / weighted by relative van der Waals volumesRDF descriptor3D2.803
PaDELRDF35vRadial distribution function - 035 / weighted by relative van der Waals volumesRDF descriptor3D3.799
PaDELRDF40vRadial distribution function - 040 / weighted by relative van der Waals volumesRDF descriptor3D3.421
PaDELRDF45vRadial distribution function - 045 / weighted by relative van der Waals volumesRDF descriptor3D3.49
PaDELRDF50vRadial distribution function - 050 / weighted by relative van der Waals volumesRDF descriptor3D3.492
PaDELRDF55vRadial distribution function - 055 / weighted by relative van der Waals volumesRDF descriptor3D2.846
PaDELRDF60vRadial distribution function - 060 / weighted by relative van der Waals volumesRDF descriptor3D1.633
PaDELRDF65vRadial distribution function - 065 / weighted by relative van der Waals volumesRDF descriptor3D0.705
PaDELRDF70vRadial distribution function - 070 / weighted by relative van der Waals volumesRDF descriptor3D5.481
PaDELRDF75vRadial distribution function - 075 / weighted by relative van der Waals volumesRDF descriptor3D1.562
PaDELRDF80vRadial distribution function - 080 / weighted by relative van der Waals volumesRDF descriptor3D0.369
PaDELRDF85vRadial distribution function - 085 / weighted by relative van der Waals volumesRDF descriptor3D0.992
PaDELRDF90vRadial distribution function - 090 / weighted by relative van der Waals volumesRDF descriptor3D1.247
PaDELRDF95vRadial distribution function - 095 / weighted by relative van der Waals volumesRDF descriptor3D0.341
PaDELRDF100vRadial distribution function - 100 / weighted by relative van der Waals volumesRDF descriptor3D0.009
PaDELRDF105vRadial distribution function - 105 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF110vRadial distribution function - 110 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF115vRadial distribution function - 115 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF120vRadial distribution function - 120 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF125vRadial distribution function - 125 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF130vRadial distribution function - 130 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF135vRadial distribution function - 135 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF140vRadial distribution function - 140 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF145vRadial distribution function - 145 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF150vRadial distribution function - 150 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF155vRadial distribution function - 155 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF10eRadial distribution function - 010 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.736
PaDELRDF15eRadial distribution function - 015 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.774
PaDELRDF20eRadial distribution function - 020 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.785
PaDELRDF25eRadial distribution function - 025 / weighted by relative Sanderson electronegativitiesRDF descriptor3D15.755
PaDELRDF30eRadial distribution function - 030 / weighted by relative Sanderson electronegativitiesRDF descriptor3D9.723
PaDELRDF35eRadial distribution function - 035 / weighted by relative Sanderson electronegativitiesRDF descriptor3D11.849
PaDELRDF40eRadial distribution function - 040 / weighted by relative Sanderson electronegativitiesRDF descriptor3D9.579
PaDELRDF45eRadial distribution function - 045 / weighted by relative Sanderson electronegativitiesRDF descriptor3D13.02
PaDELRDF50eRadial distribution function - 050 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.947
PaDELRDF55eRadial distribution function - 055 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.139
PaDELRDF60eRadial distribution function - 060 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.012
PaDELRDF65eRadial distribution function - 065 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.567
PaDELRDF70eRadial distribution function - 070 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.004
PaDELRDF75eRadial distribution function - 075 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.114
PaDELRDF80eRadial distribution function - 080 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.329
PaDELRDF85eRadial distribution function - 085 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.233
PaDELRDF90eRadial distribution function - 090 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.087
PaDELRDF95eRadial distribution function - 095 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.866
PaDELRDF100eRadial distribution function - 100 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0.112
PaDELRDF105eRadial distribution function - 105 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF110eRadial distribution function - 110 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF115eRadial distribution function - 115 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF120eRadial distribution function - 120 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF125eRadial distribution function - 125 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF130eRadial distribution function - 130 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF135eRadial distribution function - 135 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF140eRadial distribution function - 140 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF145eRadial distribution function - 145 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF150eRadial distribution function - 150 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF155eRadial distribution function - 155 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF10pRadial distribution function - 010 / weighted by relative polarizabilitiesRDF descriptor3D2.957
PaDELRDF15pRadial distribution function - 015 / weighted by relative polarizabilitiesRDF descriptor3D7.308
PaDELRDF20pRadial distribution function - 020 / weighted by relative polarizabilitiesRDF descriptor3D1.847
PaDELRDF25pRadial distribution function - 025 / weighted by relative polarizabilitiesRDF descriptor3D10.091
PaDELRDF30pRadial distribution function - 030 / weighted by relative polarizabilitiesRDF descriptor3D3.771
PaDELRDF35pRadial distribution function - 035 / weighted by relative polarizabilitiesRDF descriptor3D5.107
PaDELRDF40pRadial distribution function - 040 / weighted by relative polarizabilitiesRDF descriptor3D4.178
PaDELRDF45pRadial distribution function - 045 / weighted by relative polarizabilitiesRDF descriptor3D4.923
PaDELRDF50pRadial distribution function - 050 / weighted by relative polarizabilitiesRDF descriptor3D4.26
PaDELRDF55pRadial distribution function - 055 / weighted by relative polarizabilitiesRDF descriptor3D3.583
PaDELRDF60pRadial distribution function - 060 / weighted by relative polarizabilitiesRDF descriptor3D1.943
PaDELRDF65pRadial distribution function - 065 / weighted by relative polarizabilitiesRDF descriptor3D1.122
PaDELRDF70pRadial distribution function - 070 / weighted by relative polarizabilitiesRDF descriptor3D5.923
PaDELRDF75pRadial distribution function - 075 / weighted by relative polarizabilitiesRDF descriptor3D2.03
PaDELRDF80pRadial distribution function - 080 / weighted by relative polarizabilitiesRDF descriptor3D0.628
PaDELRDF85pRadial distribution function - 085 / weighted by relative polarizabilitiesRDF descriptor3D1.123
PaDELRDF90pRadial distribution function - 090 / weighted by relative polarizabilitiesRDF descriptor3D1.341
PaDELRDF95pRadial distribution function - 095 / weighted by relative polarizabilitiesRDF descriptor3D0.474
PaDELRDF100pRadial distribution function - 100 / weighted by relative polarizabilitiesRDF descriptor3D0.02
PaDELRDF105pRadial distribution function - 105 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF110pRadial distribution function - 110 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF115pRadial distribution function - 115 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF120pRadial distribution function - 120 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF125pRadial distribution function - 125 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF130pRadial distribution function - 130 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF135pRadial distribution function - 135 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF140pRadial distribution function - 140 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF145pRadial distribution function - 145 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF150pRadial distribution function - 150 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF155pRadial distribution function - 155 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF10iRadial distribution function - 010 / weighted by relative first ionization potentialRDF descriptor3D9.761
PaDELRDF15iRadial distribution function - 015 / weighted by relative first ionization potentialRDF descriptor3D7.716
PaDELRDF20iRadial distribution function - 020 / weighted by relative first ionization potentialRDF descriptor3D7.184
PaDELRDF25iRadial distribution function - 025 / weighted by relative first ionization potentialRDF descriptor3D19.161
PaDELRDF30iRadial distribution function - 030 / weighted by relative first ionization potentialRDF descriptor3D13.677
PaDELRDF35iRadial distribution function - 035 / weighted by relative first ionization potentialRDF descriptor3D15.515
PaDELRDF40iRadial distribution function - 040 / weighted by relative first ionization potentialRDF descriptor3D12.535
PaDELRDF45iRadial distribution function - 045 / weighted by relative first ionization potentialRDF descriptor3D18.042
PaDELRDF50iRadial distribution function - 050 / weighted by relative first ionization potentialRDF descriptor3D11.854
PaDELRDF55iRadial distribution function - 055 / weighted by relative first ionization potentialRDF descriptor3D10.569
PaDELRDF60iRadial distribution function - 060 / weighted by relative first ionization potentialRDF descriptor3D6.435
PaDELRDF65iRadial distribution function - 065 / weighted by relative first ionization potentialRDF descriptor3D5.141
PaDELRDF70iRadial distribution function - 070 / weighted by relative first ionization potentialRDF descriptor3D14.648
PaDELRDF75iRadial distribution function - 075 / weighted by relative first ionization potentialRDF descriptor3D10
PaDELRDF80iRadial distribution function - 080 / weighted by relative first ionization potentialRDF descriptor3D3.499
PaDELRDF85iRadial distribution function - 085 / weighted by relative first ionization potentialRDF descriptor3D3.093
PaDELRDF90iRadial distribution function - 090 / weighted by relative first ionization potentialRDF descriptor3D5.166
PaDELRDF95iRadial distribution function - 095 / weighted by relative first ionization potentialRDF descriptor3D3.996
PaDELRDF100iRadial distribution function - 100 / weighted by relative first ionization potentialRDF descriptor3D0.183
PaDELRDF105iRadial distribution function - 105 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF110iRadial distribution function - 110 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF115iRadial distribution function - 115 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF120iRadial distribution function - 120 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF125iRadial distribution function - 125 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF130iRadial distribution function - 130 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF135iRadial distribution function - 135 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF140iRadial distribution function - 140 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF145iRadial distribution function - 145 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF150iRadial distribution function - 150 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF155iRadial distribution function - 155 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF10sRadial distribution function - 010 / weighted by relative I-stateRDF descriptor3D5.752
PaDELRDF15sRadial distribution function - 015 / weighted by relative I-stateRDF descriptor3D8.144
PaDELRDF20sRadial distribution function - 020 / weighted by relative I-stateRDF descriptor3D5.221
PaDELRDF25sRadial distribution function - 025 / weighted by relative I-stateRDF descriptor3D13.775
PaDELRDF30sRadial distribution function - 030 / weighted by relative I-stateRDF descriptor3D4.932
PaDELRDF35sRadial distribution function - 035 / weighted by relative I-stateRDF descriptor3D7.529
PaDELRDF40sRadial distribution function - 040 / weighted by relative I-stateRDF descriptor3D6.592
PaDELRDF45sRadial distribution function - 045 / weighted by relative I-stateRDF descriptor3D7.373
PaDELRDF50sRadial distribution function - 050 / weighted by relative I-stateRDF descriptor3D5.476
PaDELRDF55sRadial distribution function - 055 / weighted by relative I-stateRDF descriptor3D5.903
PaDELRDF60sRadial distribution function - 060 / weighted by relative I-stateRDF descriptor3D4.514
PaDELRDF65sRadial distribution function - 065 / weighted by relative I-stateRDF descriptor3D1.771
PaDELRDF70sRadial distribution function - 070 / weighted by relative I-stateRDF descriptor3D13.203
PaDELRDF75sRadial distribution function - 075 / weighted by relative I-stateRDF descriptor3D5.383
PaDELRDF80sRadial distribution function - 080 / weighted by relative I-stateRDF descriptor3D1.101
PaDELRDF85sRadial distribution function - 085 / weighted by relative I-stateRDF descriptor3D1.308
PaDELRDF90sRadial distribution function - 090 / weighted by relative I-stateRDF descriptor3D5.212
PaDELRDF95sRadial distribution function - 095 / weighted by relative I-stateRDF descriptor3D2.696
PaDELRDF100sRadial distribution function - 100 / weighted by relative I-stateRDF descriptor3D0.039
PaDELRDF105sRadial distribution function - 105 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF110sRadial distribution function - 110 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF115sRadial distribution function - 115 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF120sRadial distribution function - 120 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF125sRadial distribution function - 125 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF130sRadial distribution function - 130 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF135sRadial distribution function - 135 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF140sRadial distribution function - 140 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF145sRadial distribution function - 145 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF150sRadial distribution function - 150 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF155sRadial distribution function - 155 / weighted by relative I-stateRDF descriptor3D0
PaDELL1u1st component size directional WHIM index / unweightedPaDEL WHIM descriptor3D9.288
PaDELL2u2nd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D1.949
PaDELL3u3rd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D0.594
PaDELP1u1st component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.785
PaDELP2u2nd component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.165
PaDELE1u1st component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.579
PaDELE2u2nd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.486
PaDELE3u3rd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.444
PaDELTuT total size index / unweightedPaDEL WHIM descriptor3D11.831
PaDELAuA total size index / unweightedPaDEL WHIM descriptor3D24.775
PaDELVuV total size index / unweightedPaDEL WHIM descriptor3D47.359
PaDELKuK global shape index / unweightedPaDEL WHIM descriptor3D0.678
PaDELDuD total accessibility index / unweightedPaDEL WHIM descriptor3D1.509
PaDELL1m1st component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D8.753
PaDELL2m2nd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D1.322
PaDELL3m3rd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.224
PaDELP1m1st component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.85
PaDELP2m2nd component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.128
PaDELE1m1st component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.508
PaDELE2m2nd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.205
PaDELE3m3rd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.063
PaDELTmT total size index / weighted by relative massPaDEL WHIM descriptor3D10.298
PaDELAmA total size index / weighted by relative massPaDEL WHIM descriptor3D13.828
PaDELVmV total size index / weighted by relative massPaDEL WHIM descriptor3D26.721
PaDELKmK global shape index / weighted by relative massPaDEL WHIM descriptor3D0.775
PaDELDmD total accessibility index / weighted by relative massPaDEL WHIM descriptor3D0.776
PaDELL1v1st component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D8.572
PaDELL2v2nd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.489
PaDELL3v3rd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.372
PaDELP1v1st component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.822
PaDELP2v2nd component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.143
PaDELE1v1st component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.491
PaDELE2v2nd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.283
PaDELE3v3rd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.175
PaDELTvT total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D10.433
PaDELAvA total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D16.505
PaDELVvV total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D31.684
PaDELKvK global shape index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.732
PaDELDvD total accessibility index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.949
PaDELL1e1st component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D9.374
PaDELL2e2nd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.958
PaDELL3e3rd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.579
PaDELP1e1st component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.787
PaDELP2e2nd component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.164
PaDELE1e1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.587
PaDELE2e2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.49
PaDELE3e3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.422
PaDELTeT total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D11.911
PaDELAeA total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D24.914
PaDELVeV total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D47.447
PaDELKeK global shape index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.681
PaDELDeD total accessibility index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.499
PaDELL1p1st component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D8.617
PaDELL2p2nd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.576
PaDELL3p3rd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.441
PaDELP1p1st component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.81
PaDELP2p2nd component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.148
PaDELE1p1st component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.499
PaDELE2p2nd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.318
PaDELE3p3rd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.245
PaDELTpT total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D10.634
PaDELApA total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D18.073
PaDELVpV total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D34.692
PaDELKpK global shape index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.716
PaDELDpD total accessibility index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.062
PaDELL1i1st component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D9.421
PaDELL2i2nd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D2.02
PaDELL3i3rd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.622
PaDELP1i1st component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.781
PaDELP2i2nd component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.167
PaDELE1i1st component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.595
PaDELE2i2nd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.522
PaDELE3i3rd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.486
PaDELTiT total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D12.063
PaDELAiA total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D26.146
PaDELViV total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D50.046
PaDELKiK global shape index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.671
PaDELDiD total accessibility index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.603
PaDELL1s1st component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D9.37
PaDELL2s2nd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D1.958
PaDELL3s3rd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.579
PaDELP1s1st component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.787
PaDELP2s2nd component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.164
PaDELE1s1st component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.587
PaDELE2s2nd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.49
PaDELE3s3rd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.423
PaDELTsT total size index / weighted by relative I-statePaDEL WHIM descriptor3D11.908
PaDELAsA total size index / weighted by relative I-statePaDEL WHIM descriptor3D24.914
PaDELVsV total size index / weighted by relative I-statePaDEL WHIM descriptor3D47.455
PaDELKsK global shape index / weighted by relative I-statePaDEL WHIM descriptor3D0.68
PaDELDsD total accessibility index / weighted by relative I-statePaDEL WHIM descriptor3D1.5
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.