Secondary metabolite:Methyl cinnamate



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 descriptor2D1.58
PaDELALogp2Square of AlogPALOGP descriptor2D2.497
PaDELAMRMolar refractivityALOGP descriptor2D51.968
PaDELapolSum of the atomic polarizabilities (including implicit hydrogens)APol descriptor2D25.872
PaDELnaAromAtomNumber of aromatic atomsAromatic Atoms Count descriptor2D0
PaDELnAromBondNumber of aromatic bondsAromatic Bonds Count descriptor2D0
PaDELnAtomNumber of atomsAtom Count descriptor2D22
PaDELnHeavyAtomNumber of heavy atoms (i.e. not hydrogen)Atom Count descriptor2D12
PaDELnHNumber of hydrogen atomsAtom Count descriptor2D10
PaDELnBNumber of boron atomsAtom Count descriptor2D0
PaDELnCNumber of carbon atomsAtom Count descriptor2D10
PaDELnNNumber of nitrogen atomsAtom Count descriptor2D0
PaDELnONumber of oxygen atomsAtom Count descriptor2D2
PaDELnSNumber of sulphur atomsAtom Count descriptor2D0
PaDELnPNumber of phosphorus atomsAtom Count descriptor2D0
PaDELnFNumber of Fluorine AtomsConstitutional descriptor1D0
PaDELnClNumber of chlorine atomsAtom Count descriptor2D0
PaDELnBrNumber of bromine atomsAtom Count descriptor2D0
PaDELnINumber of iodine atomsAtom Count descriptor2D0
PaDELnXNumber of halogen atoms (F, Cl, Br, I, At, Uus)Atom Count descriptor2D0
PaDELATS0mBroto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D1964.738
PaDELATS1mBroto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1995.94
PaDELATS2mBroto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D2448.13
PaDELATS3mBroto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D2142.238
PaDELATS4mBroto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D1542.465
PaDELATS5mBroto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D1500.142
PaDELATS6mBroto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1356.802
PaDELATS7mBroto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D847.344
PaDELATS8mBroto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D279.471
PaDELATS0vBroto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D4978.788
PaDELATS1vBroto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D5867.207
PaDELATS2vBroto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D7426.14
PaDELATS3vBroto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D7219.282
PaDELATS4vBroto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D5693.654
PaDELATS5vBroto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D4561.579
PaDELATS6vBroto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D3799.182
PaDELATS7vBroto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D2844.261
PaDELATS8vBroto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D1691.94
PaDELATS0eBroto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D169.293
PaDELATS1eBroto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D169.143
PaDELATS2eBroto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D264.581
PaDELATS3eBroto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D285.736
PaDELATS4eBroto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D273.977
PaDELATS5eBroto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D216.175
PaDELATS6eBroto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D190.776
PaDELATS7eBroto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D143.811
PaDELATS8eBroto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D123.735
PaDELATS0pBroto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D33.622
PaDELATS1pBroto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D40.254
PaDELATS2pBroto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D52.528
PaDELATS3pBroto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D53.568
PaDELATS4pBroto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D43.684
PaDELATS5pBroto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D33.877
PaDELATS6pBroto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D26.326
PaDELATS7pBroto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D20.862
PaDELATS8pBroto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D15.434
PaDELATS0iBroto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D3488.023
PaDELATS1iBroto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D3132.405
PaDELATS2iBroto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D5140.897
PaDELATS3iBroto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D5805.464
PaDELATS4iBroto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D5705.963
PaDELATS5iBroto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D4622.28
PaDELATS6iBroto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D3915.857
PaDELATS7iBroto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D2864.033
PaDELATS8iBroto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D2831.649
PaDELATS0sBroto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D108.806
PaDELATS1sBroto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D77.833
PaDELATS2sBroto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D126.333
PaDELATS3sBroto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D120.278
PaDELATS4sBroto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D111.333
PaDELATS5sBroto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D88.333
PaDELATS6sBroto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D92.667
PaDELATS7sBroto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D68.667
PaDELATS8sBroto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D36.5
PaDELAATS0mAverage Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D89.306
PaDELAATS1mAverage Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D90.725
PaDELAATS2mAverage Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D72.004
PaDELAATS3mAverage Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D56.375
PaDELAATS4mAverage Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D42.846
PaDELAATS5mAverage Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D51.729
PaDELAATS6mAverage Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D56.533
PaDELAATS7mAverage Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D47.075
PaDELAATS8mAverage Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D16.439
PaDELAATS0vAverage Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D226.309
PaDELAATS1vAverage Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D266.691
PaDELAATS2vAverage Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D218.416
PaDELAATS3vAverage Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D189.981
PaDELAATS4vAverage Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D158.157
PaDELAATS5vAverage Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D157.296
PaDELAATS6vAverage Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D158.299
PaDELAATS7vAverage Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D158.014
PaDELAATS8vAverage Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D99.526
PaDELAATS0eAverage Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.695
PaDELAATS1eAverage Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.688
PaDELAATS2eAverage Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.782
PaDELAATS3eAverage Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.519
PaDELAATS4eAverage Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.61
PaDELAATS5eAverage Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.454
PaDELAATS6eAverage Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.949
PaDELAATS7eAverage Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.989
PaDELAATS8eAverage Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.279
PaDELAATS0pAverage Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D1.528
PaDELAATS1pAverage Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.83
PaDELAATS2pAverage Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.545
PaDELAATS3pAverage Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.41
PaDELAATS4pAverage Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.213
PaDELAATS5pAverage Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D1.168
PaDELAATS6pAverage Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D1.097
PaDELAATS7pAverage Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D1.159
PaDELAATS8pAverage Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.908
PaDELAATS0iAverage Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D158.546
PaDELAATS1iAverage Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D142.382
PaDELAATS2iAverage Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D151.203
PaDELAATS3iAverage Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D152.775
PaDELAATS4iAverage Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D158.499
PaDELAATS5iAverage Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D159.389
PaDELAATS6iAverage Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D163.161
PaDELAATS7iAverage Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D159.113
PaDELAATS8iAverage Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D166.568
PaDELAATS0sAverage Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D4.946
PaDELAATS1sAverage Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D3.538
PaDELAATS2sAverage Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D3.716
PaDELAATS3sAverage Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D3.165
PaDELAATS4sAverage Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D3.093
PaDELAATS5sAverage Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D3.046
PaDELAATS6sAverage Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D3.861
PaDELAATS7sAverage Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D3.815
PaDELAATS8sAverage Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D2.147
PaDELATSC0cCentered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.308
PaDELATSC1cCentered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.172
PaDELATSC2cCentered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.037
PaDELATSC3cCentered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.02
PaDELATSC4cCentered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0.103
PaDELATSC5cCentered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D0.078
PaDELATSC6cCentered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.026
PaDELATSC7cCentered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.031
PaDELATSC8cCentered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.033
PaDELATSC0mCentered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D769.058
PaDELATSC1mCentered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D18.5
PaDELATSC2mCentered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-65.348
PaDELATSC3mCentered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-154.492
PaDELATSC4mCentered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-324.227
PaDELATSC5mCentered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D256.405
PaDELATSC6mCentered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D41.379
PaDELATSC7mCentered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-321.735
PaDELATSC8mCentered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-81.448
PaDELATSC0vCentered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D1130.485
PaDELATSC1vCentered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-43.161
PaDELATSC2vCentered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-27.235
PaDELATSC3vCentered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-279.557
PaDELATSC4vCentered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-315.721
PaDELATSC5vCentered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D111.632
PaDELATSC6vCentered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D117.835
PaDELATSC7vCentered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-363.248
PaDELATSC8vCentered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-67.528
PaDELATSC0eCentered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.883
PaDELATSC1eCentered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.011
PaDELATSC2eCentered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.446
PaDELATSC3eCentered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.152
PaDELATSC4eCentered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.565
PaDELATSC5eCentered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.23
PaDELATSC6eCentered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.46
PaDELATSC7eCentered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.572
PaDELATSC8eCentered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.115
PaDELATSC0pCentered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D5.276
PaDELATSC1pCentered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.464
PaDELATSC2pCentered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.521
PaDELATSC3pCentered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-1.31
PaDELATSC4pCentered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.802
PaDELATSC5pCentered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.6
PaDELATSC6pCentered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.332
PaDELATSC7pCentered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-1.195
PaDELATSC8pCentered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-0.09
PaDELATSC0iCentered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D29.904
PaDELATSC1iCentered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-3.011
PaDELATSC2iCentered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D4.195
PaDELATSC3iCentered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-7.285
PaDELATSC4iCentered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-3.522
PaDELATSC5iCentered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-5.125
PaDELATSC6iCentered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D1.228
PaDELATSC7iCentered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-5.982
PaDELATSC8iCentered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.162
PaDELATSC0sCentered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D36.683
PaDELATSC1sCentered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-2.135
PaDELATSC2sCentered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D6.943
PaDELATSC3sCentered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.786
PaDELATSC4sCentered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-17.494
PaDELATSC5sCentered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D7.172
PaDELATSC6sCentered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-4.283
PaDELATSC7sCentered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-10.232
PaDELATSC8sCentered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-2.826
PaDELAATSC0cAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.014
PaDELAATSC1cAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.008
PaDELAATSC2cAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC3cAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC4cAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0.003
PaDELAATSC5cAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D0.003
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-0.002
PaDELAATSC8cAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.002
PaDELAATSC0mAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D34.957
PaDELAATSC1mAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.841
PaDELAATSC2mAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-1.922
PaDELAATSC3mAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-4.066
PaDELAATSC4mAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-9.006
PaDELAATSC5mAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D8.842
PaDELAATSC6mAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1.724
PaDELAATSC7mAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-17.874
PaDELAATSC8mAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-4.791
PaDELAATSC0vAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D51.386
PaDELAATSC1vAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-1.962
PaDELAATSC2vAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-0.801
PaDELAATSC3vAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-7.357
PaDELAATSC4vAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-8.77
PaDELAATSC5vAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D3.849
PaDELAATSC6vAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D4.91
PaDELAATSC7vAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-20.18
PaDELAATSC8vAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-3.972
PaDELAATSC0eAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.086
PaDELAATSC1eAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.001
PaDELAATSC2eAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.013
PaDELAATSC3eAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.004
PaDELAATSC4eAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.016
PaDELAATSC5eAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.008
PaDELAATSC6eAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.019
PaDELAATSC7eAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.032
PaDELAATSC8eAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.007
PaDELAATSC0pAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D0.24
PaDELAATSC1pAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.021
PaDELAATSC2pAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.015
PaDELAATSC3pAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.034
PaDELAATSC4pAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.022
PaDELAATSC5pAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.021
PaDELAATSC6pAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.014
PaDELAATSC7pAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-0.066
PaDELAATSC8pAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-0.005
PaDELAATSC0iAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D1.359
PaDELAATSC1iAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.137
PaDELAATSC2iAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.123
PaDELAATSC3iAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.192
PaDELAATSC4iAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.098
PaDELAATSC5iAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.177
PaDELAATSC6iAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.051
PaDELAATSC7iAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0.332
PaDELAATSC8iAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.01
PaDELAATSC0sAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D1.667
PaDELAATSC1sAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.097
PaDELAATSC2sAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.204
PaDELAATSC3sAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.021
PaDELAATSC4sAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.486
PaDELAATSC5sAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D0.247
PaDELAATSC6sAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.178
PaDELAATSC7sAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.568
PaDELAATSC8sAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.166
PaDELMATS1cMoran autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.556
PaDELMATS2cMoran autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.078
PaDELMATS3cMoran autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.037
PaDELMATS4cMoran autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0.204
PaDELMATS5cMoran autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D0.192
PaDELMATS6cMoran autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.078
PaDELMATS7cMoran autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.124
PaDELMATS8cMoran autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.136
PaDELMATS1mMoran autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.024
PaDELMATS2mMoran autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-0.055
PaDELMATS3mMoran autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-0.116
PaDELMATS4mMoran autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-0.258
PaDELMATS5mMoran autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D0.253
PaDELMATS6mMoran autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.049
PaDELMATS7mMoran autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-0.511
PaDELMATS8mMoran autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-0.137
PaDELMATS1vMoran autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-0.038
PaDELMATS2vMoran autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-0.016
PaDELMATS3vMoran autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-0.143
PaDELMATS4vMoran autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-0.171
PaDELMATS5vMoran autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.075
PaDELMATS6vMoran autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.096
PaDELMATS7vMoran autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-0.393
PaDELMATS8vMoran autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-0.077
PaDELMATS1eMoran autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.006
PaDELMATS2eMoran autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.153
PaDELMATS3eMoran autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.047
PaDELMATS4eMoran autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.183
PaDELMATS5eMoran autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.093
PaDELMATS6eMoran autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.224
PaDELMATS7eMoran autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.371
PaDELMATS8eMoran autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.079
PaDELMATS1pMoran autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.088
PaDELMATS2pMoran autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.064
PaDELMATS3pMoran autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.144
PaDELMATS4pMoran autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.093
PaDELMATS5pMoran autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.086
PaDELMATS6pMoran autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.058
PaDELMATS7pMoran autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D-0.277
PaDELMATS8pMoran autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-0.022
PaDELMATS1iMoran autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.101
PaDELMATS2iMoran autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.091
PaDELMATS3iMoran autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.141
PaDELMATS4iMoran autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.072
PaDELMATS5iMoran autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.13
PaDELMATS6iMoran autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.038
PaDELMATS7iMoran autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D-0.244
PaDELMATS8iMoran autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.007
PaDELMATS1sMoran autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.058
PaDELMATS2sMoran autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.122
PaDELMATS3sMoran autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.012
PaDELMATS4sMoran autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.291
PaDELMATS5sMoran autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D0.148
PaDELMATS6sMoran autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.107
PaDELMATS7sMoran autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.341
PaDELMATS8sMoran autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.1
PaDELGATS1cGeary autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D1.489
PaDELGATS2cGeary autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.973
PaDELGATS3cGeary autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.877
PaDELGATS4cGeary autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D1.038
PaDELGATS5cGeary autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D0.788
PaDELGATS6cGeary autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D1.395
PaDELGATS7cGeary autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D1.402
PaDELGATS8cGeary autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.678
PaDELGATS1mGeary autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.781
PaDELGATS2mGeary autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D0.964
PaDELGATS3mGeary autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1.005
PaDELGATS4mGeary autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D1.219
PaDELGATS5mGeary autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D0.714
PaDELGATS6mGeary autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1.03
PaDELGATS7mGeary autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D1.532
PaDELGATS8mGeary autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D1.139
PaDELGATS1vGeary autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D0.994
PaDELGATS2vGeary autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D0.948
PaDELGATS3vGeary autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D1.112
PaDELGATS4vGeary autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D1.113
PaDELGATS5vGeary autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.909
PaDELGATS6vGeary autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.792
PaDELGATS7vGeary autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D1.253
PaDELGATS8vGeary autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D1.075
PaDELGATS1eGeary autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.687
PaDELGATS2eGeary autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.88
PaDELGATS3eGeary autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.76
PaDELGATS4eGeary autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.192
PaDELGATS5eGeary autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.689
PaDELGATS6eGeary autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.853
PaDELGATS7eGeary autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.975
PaDELGATS8eGeary autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.802
PaDELGATS1pGeary autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.115
PaDELGATS2pGeary autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.916
PaDELGATS3pGeary autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.122
PaDELGATS4pGeary autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.034
PaDELGATS5pGeary autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D1.036
PaDELGATS6pGeary autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.84
PaDELGATS7pGeary autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D1.176
PaDELGATS8pGeary autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0.947
PaDELGATS1iGeary autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D1.139
PaDELGATS2iGeary autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.905
PaDELGATS3iGeary autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D1.114
PaDELGATS4iGeary autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D1.015
PaDELGATS5iGeary autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D1.064
PaDELGATS6iGeary autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.885
PaDELGATS7iGeary autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D1.177
PaDELGATS8iGeary autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0.903
PaDELGATS1sGeary autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.579
PaDELGATS2sGeary autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.594
PaDELGATS3sGeary autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.826
PaDELGATS4sGeary autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.58
PaDELGATS5sGeary autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D0.649
PaDELGATS6sGeary autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.709
PaDELGATS7sGeary autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D1.911
PaDELGATS8sGeary autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.846
PaDELSpAbs_DzZGraph energy from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D58.89
PaDELSpMax_DzZLeading eigenvalue from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D29.548
PaDELSpDiam_DzZSpectral diameter from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D46.249
PaDELSpAD_DzZSpectral absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D59.223
PaDELSpMAD_DzZSpectral mean absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D4.935
PaDELEE_DzZEstrada-like index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D29.548
PaDELSM1_DzZSpectral moment of order 1 from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.5
PaDELVE1_DzZCoefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.091
PaDELVE2_DzZAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.008
PaDELVE3_DzZLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D-2.879
PaDELVR1_DzZRandic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D66.51
PaDELVR2_DzZNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D5.543
PaDELVR3_DzZLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D5.037
PaDELSpAbs_DzmGraph energy from Barysz matrix / weighted by massBarysz Matrix descriptor2D58.901
PaDELSpMax_DzmLeading eigenvalue from Barysz matrix / weighted by massBarysz Matrix descriptor2D29.553
PaDELSpDiam_DzmSpectral diameter from Barysz matrix / weighted by massBarysz Matrix descriptor2D46.256
PaDELSpAD_DzmSpectral absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D59.233
PaDELSpMAD_DzmSpectral mean absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D4.936
PaDELEE_DzmEstrada-like index from Barysz matrix / weighted by massBarysz Matrix descriptor2D29.553
PaDELSM1_DzmSpectral moment of order 1 from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.499
PaDELVE1_DzmCoefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.091
PaDELVE2_DzmAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.008
PaDELVE3_DzmLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D-2.876
PaDELVR1_DzmRandic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D66.539
PaDELVR2_DzmNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D5.545
PaDELVR3_DzmLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D5.037
PaDELSpAbs_DzvGraph energy from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D69.378
PaDELSpMax_DzvLeading eigenvalue from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D34.143
PaDELSpDiam_DzvSpectral diameter from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D52.537
PaDELSpAD_DzvSpectral absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D68.846
PaDELSpMAD_DzvSpectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D5.737
PaDELEE_DzvEstrada-like index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D34.143
PaDELSM1_DzvSpectral moment of order 1 from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-0.798
PaDELVE1_DzvCoefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.285
PaDELVE2_DzvAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.024
PaDELVE3_DzvLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-1.505
PaDELVR1_DzvRandic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D84.048
PaDELVR2_DzvNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D7.004
PaDELVR3_DzvLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D5.318
PaDELSpAbs_DzeGraph energy from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D58.913
PaDELSpMax_DzeLeading eigenvalue from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D29.559
PaDELSpDiam_DzeSpectral diameter from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D46.263
PaDELSpAD_DzeSpectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D59.245
PaDELSpMAD_DzeSpectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D4.937
PaDELEE_DzeEstrada-like index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D29.559
PaDELSM1_DzeSpectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.497
PaDELVE1_DzeCoefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.091
PaDELVE2_DzeAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.008
PaDELVE3_DzeLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D-2.873
PaDELVR1_DzeRandic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D66.57
PaDELVR2_DzeNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D5.548
PaDELVR3_DzeLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D5.038
PaDELSpAbs_DzpGraph energy from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D80.854
PaDELSpMax_DzpLeading eigenvalue from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D39.197
PaDELSpDiam_DzpSpectral diameter from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D60.036
PaDELSpAD_DzpSpectral absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D79.418
PaDELSpMAD_DzpSpectral mean absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D6.618
PaDELEE_DzpEstrada-like index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D39.197
PaDELSM1_DzpSpectral moment of order 1 from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-2.165
PaDELVE1_DzpCoefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.473
PaDELVE2_DzpAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.039
PaDELVE3_DzpLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-0.898
PaDELVR1_DzpRandic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D326.407
PaDELVR2_DzpNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D27.201
PaDELVR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D6.946
PaDELSpAbs_DziGraph energy from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D60.102
PaDELSpMax_DziLeading eigenvalue from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D30.078
PaDELSpDiam_DziSpectral diameter from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D46.948
PaDELSpAD_DziSpectral absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D60.333
PaDELSpMAD_DziSpectral mean absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D5.028
PaDELEE_DziEstrada-like index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D30.078
PaDELSM1_DziSpectral moment of order 1 from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.346
PaDELVE1_DziCoefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.114
PaDELVE2_DziAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.01
PaDELVE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D-2.606
PaDELVR1_DziRandic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D70.116
PaDELVR2_DziNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D5.843
PaDELVR3_DziLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D5.1
PaDELSpAbs_DzsGraph energy from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D59.298
PaDELSpMax_DzsLeading eigenvalue from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D29.722
PaDELSpDiam_DzsSpectral diameter from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D47.233
PaDELSpAD_DzsSpectral absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D59.857
PaDELSpMAD_DzsSpectral mean absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.988
PaDELEE_DzsEstrada-like index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D29.722
PaDELSM1_DzsSpectral moment of order 1 from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D1.118
PaDELVE1_DzsCoefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.049
PaDELVE2_DzsAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.004
PaDELVE3_DzsLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D-3.622
PaDELVR1_DzsRandic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D59.959
PaDELVR2_DzsNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.997
PaDELVR3_DzsLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.912
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 descriptor2D15.996
PaDELBCUTc-1lnhigh lowest partial charge weighted BCUTSBCUT descriptor2D-0.316
PaDELBCUTc-1hnlow highest partial charge weighted BCUTSBCUT descriptor2D0.318
PaDELBCUTp-1lnhigh lowest polarizability weighted BCUTSBCUT descriptor2D4.201
PaDELBCUTp-1hnlow highest polarizability weighted BCUTSBCUT descriptor2D8.79
PaDELnBondsNumber of bondsPaDEL Bond Count descriptor2D12
PaDELnBonds2Total number of bonds (including bonds to hydrogens)PaDEL Bond Count descriptor2D22
PaDELnBondsSNumber of single bonds (including bonds with hydrogen)PaDEL Bond Count descriptor2D17
PaDELnBondsS2Total number of single bondsPaDEL Bond Count descriptor2D17
PaDELnBondsS3Total number of single bondsPaDEL Bond Count descriptor2D7
PaDELnBondsDNumber of double bondsPaDEL Bond Count descriptor2D5
PaDELnBondsD2Total number of double bondsPaDEL Bond Count descriptor2D5
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 descriptor2D5
PaDELbpolSum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens)BPol descriptor2D13.806
PaDELSpMax1_BhmLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D3.778
PaDELSpMax2_BhmLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D3.474
PaDELSpMax3_BhmLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D2.945
PaDELSpMax4_BhmLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D2.649
PaDELSpMax5_BhmLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D2.594
PaDELSpMax6_BhmLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D2.213
PaDELSpMax7_BhmLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D1.1
PaDELSpMax8_BhmLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.991
PaDELSpMin1_BhmSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D1.946
PaDELSpMin2_BhmSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D1.578
PaDELSpMin3_BhmSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D1.388
PaDELSpMin4_BhmSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D1.102
PaDELSpMin5_BhmSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D0.968
PaDELSpMin6_BhmSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D0.582
PaDELSpMin7_BhmSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D0.306
PaDELSpMin8_BhmSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.24
PaDELSpMax1_BhvLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.781
PaDELSpMax2_BhvLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.368
PaDELSpMax3_BhvLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.873
PaDELSpMax4_BhvLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.675
PaDELSpMax5_BhvLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.566
PaDELSpMax6_BhvLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.135
PaDELSpMax7_BhvLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.066
PaDELSpMax8_BhvLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.04
PaDELSpMin1_BhvSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.922
PaDELSpMin2_BhvSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.617
PaDELSpMin3_BhvSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.333
PaDELSpMin4_BhvSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.029
PaDELSpMin5_BhvSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.958
PaDELSpMin6_BhvSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.625
PaDELSpMin7_BhvSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.145
PaDELSpMin8_BhvSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.122
PaDELSpMax1_BheLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.836
PaDELSpMax2_BheLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.528
PaDELSpMax3_BheLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.086
PaDELSpMax4_BheLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.798
PaDELSpMax5_BheLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.769
PaDELSpMax6_BheLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.378
PaDELSpMax7_BheLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.52
PaDELSpMax8_BheLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.509
PaDELSpMin1_BheSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.839
PaDELSpMin2_BheSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.431
PaDELSpMin3_BheSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.04
PaDELSpMin4_BheSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.825
PaDELSpMin5_BheSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.734
PaDELSpMin6_BheSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.293
PaDELSpMin7_BheSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.405
PaDELSpMin8_BheSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.427
PaDELSpMax1_BhpLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.787
PaDELSpMax2_BhpLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.349
PaDELSpMax3_BhpLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.86
PaDELSpMax4_BhpLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.695
PaDELSpMax5_BhpLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.579
PaDELSpMax6_BhpLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.116
PaDELSpMax7_BhpLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.128
PaDELSpMax8_BhpLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.123
PaDELSpMin1_BhpSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.908
PaDELSpMin2_BhpSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.644
PaDELSpMin3_BhpSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.299
PaDELSpMin4_BhpSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.983
PaDELSpMin5_BhpSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.955
PaDELSpMin6_BhpSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.613
PaDELSpMin7_BhpSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.036
PaDELSpMin8_BhpSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.027
PaDELSpMax1_BhiLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.858
PaDELSpMax2_BhiLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.528
PaDELSpMax3_BhiLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.142
PaDELSpMax4_BhiLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.863
PaDELSpMax5_BhiLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.816
PaDELSpMax6_BhiLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.431
PaDELSpMax7_BhiLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.714
PaDELSpMax8_BhiLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.708
PaDELSpMin1_BhiSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.817
PaDELSpMin2_BhiSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.419
PaDELSpMin3_BhiSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.982
PaDELSpMin4_BhiSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.766
PaDELSpMin5_BhiSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.683
PaDELSpMin6_BhiSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.251
PaDELSpMin7_BhiSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.604
PaDELSpMin8_BhiSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.608
PaDELSpMax1_BhsLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D4.456
PaDELSpMax2_BhsLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.778
PaDELSpMax3_BhsLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.163
PaDELSpMax4_BhsLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.067
PaDELSpMax5_BhsLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.743
PaDELSpMax6_BhsLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.466
PaDELSpMax7_BhsLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.738
PaDELSpMax8_BhsLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.275
PaDELSpMin1_BhsSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.881
PaDELSpMin2_BhsSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.417
PaDELSpMin3_BhsSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.148
PaDELSpMin4_BhsSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.92
PaDELSpMin5_BhsSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.797
PaDELSpMin6_BhsSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.222
PaDELSpMin7_BhsSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.068
PaDELSpMin8_BhsSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.154
PaDELC1SP1Triply bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP1Triply bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP2Doubly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D1
PaDELC2SP2Doubly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D7
PaDELC3SP2Doubly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D1
PaDELC1SP3Singly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP3Singly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
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 descriptor2D0.102
PaDELSCH-7Simple chain, order 7ChiChain descriptor2D0.072
PaDELVCH-3Valence chain, order 3ChiChain descriptor2D0
PaDELVCH-4Valence chain, order 4ChiChain descriptor2D0
PaDELVCH-5Valence chain, order 5ChiChain descriptor2D0
PaDELVCH-6Valence chain, order 6ChiChain descriptor2D0.032
PaDELVCH-7Valence chain, order 7ChiChain descriptor2D0.019
PaDELSC-3Simple cluster, order 3ChiCluster descriptor2D0.493
PaDELSC-4Simple cluster, order 4ChiCluster descriptor2D0
PaDELSC-5Simple cluster, order 5ChiCluster descriptor2D0
PaDELSC-6Simple cluster, order 6ChiCluster descriptor2D0
PaDELVC-3Valence cluster, order 3ChiCluster descriptor2D0.144
PaDELVC-4Valence cluster, order 4ChiCluster descriptor2D0
PaDELVC-5Valence cluster, order 5ChiCluster descriptor2D0
PaDELVC-6Valence cluster, order 6ChiCluster descriptor2D0
PaDELSPC-4Simple path cluster, order 4ChiPathCluster descriptor2D0.926
PaDELSPC-5Simple path cluster, order 5ChiPathCluster descriptor2D0.916
PaDELSPC-6Simple path cluster, order 6ChiPathCluster descriptor2D0.978
PaDELVPC-4Valence path cluster, order 4ChiPathCluster descriptor2D0.243
PaDELVPC-5Valence path cluster, order 5ChiPathCluster descriptor2D0.23
PaDELVPC-6Valence path cluster, order 6ChiPathCluster descriptor2D0.196
PaDELSP-0Simple path, order 0PaDEL ChiPath descriptor2D8.812
PaDELSP-1Simple path, order 1PaDEL ChiPath descriptor2D5.826
PaDELSP-2Simple path, order 2PaDEL ChiPath descriptor2D4.595
PaDELSP-3Simple path, order 3PaDEL ChiPath descriptor2D3.489
PaDELSP-4Simple path, order 4PaDEL ChiPath descriptor2D2.2
PaDELSP-5Simple path, order 5PaDEL ChiPath descriptor2D1.708
PaDELSP-6Simple path, order 6PaDEL ChiPath descriptor2D0.858
PaDELSP-7Simple path, order 7PaDEL ChiPath descriptor2D0.504
PaDELASP-0Average simple path, order 0PaDEL ChiPath descriptor2D0.734
PaDELASP-1Average simple path, order 1PaDEL ChiPath descriptor2D0.485
PaDELASP-2Average simple path, order 2PaDEL ChiPath descriptor2D0.328
PaDELASP-3Average simple path, order 3PaDEL ChiPath descriptor2D0.233
PaDELASP-4Average simple path, order 4PaDEL ChiPath descriptor2D0.147
PaDELASP-5Average simple path, order 5PaDEL ChiPath descriptor2D0.1
PaDELASP-6Average simple path, order 6PaDEL ChiPath descriptor2D0.071
PaDELASP-7Average simple path, order 7PaDEL ChiPath descriptor2D0.05
PaDELVP-0Valence path, order 0PaDEL ChiPath descriptor2D6.858
PaDELVP-1Valence path, order 1PaDEL ChiPath descriptor2D3.638
PaDELVP-2Valence path, order 2PaDEL ChiPath descriptor2D2.267
PaDELVP-3Valence path, order 3PaDEL ChiPath descriptor2D1.413
PaDELVP-4Valence path, order 4PaDEL ChiPath descriptor2D0.796
PaDELVP-5Valence path, order 5PaDEL ChiPath descriptor2D0.489
PaDELVP-6Valence path, order 6PaDEL ChiPath descriptor2D0.191
PaDELVP-7Valence path, order 7PaDEL ChiPath descriptor2D0.089
PaDELAVP-0Average valence path, order 0PaDEL ChiPath descriptor2D0.571
PaDELAVP-1Average valence path, order 1PaDEL ChiPath descriptor2D0.303
PaDELAVP-2Average valence path, order 2PaDEL ChiPath descriptor2D0.162
PaDELAVP-3Average valence path, order 3PaDEL ChiPath descriptor2D0.094
PaDELAVP-4Average valence path, order 4PaDEL ChiPath descriptor2D0.053
PaDELAVP-5Average valence path, order 5PaDEL ChiPath descriptor2D0.029
PaDELAVP-6Average valence path, order 6PaDEL ChiPath descriptor2D0.016
PaDELAVP-7Average valence path, order 7PaDEL ChiPath descriptor2D0.009
PaDELSvSum of atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D14.139
PaDELSseSum of atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D22.101
PaDELSpeSum of atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D21.325
PaDELSareSum of atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D21.6
PaDELSpSum of atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D14.953
PaDELSiSum of first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D165.164
PaDELMvMean atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D0.643
PaDELMseMean atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D1.005
PaDELMpeMean atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D0.969
PaDELMareMean atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D0.982
PaDELMpMean atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D0.68
PaDELMiMean first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D7.507
PaDELCrippenLogPCrippen's LogPCrippen descriptor2D1.924
PaDELCrippenMRCrippen's molar refractivityCrippen descriptor2D49.673
PaDELSpMax_DtLeading eigenvalue from detour matrixDetour Matrix descriptor2D57.386
PaDELSpDiam_DtSpectral diameter from detour matrixDetour Matrix descriptor2D85.943
PaDELSpAD_DtSpectral absolute deviation from detour matrixDetour Matrix descriptor2D114.772
PaDELSpMAD_DtSpectral mean absolute deviation from detour matrixDetour Matrix descriptor2D9.564
PaDELEE_DtEstrada-like index from detour matrixDetour Matrix descriptor2D57.386
PaDELVE1_DtCoefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.251
PaDELVE2_DtAverage coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.021
PaDELVE3_DtLogarithmic coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D-1.658
PaDELVR1_DtRandic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D90.502
PaDELVR2_DtNormalized Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D7.542
PaDELVR3_DtLogarithmic Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D5.406
PaDELECCENA topological descriptor combining distance and adjacency informationEccentric Connectivity Index descriptor2D148
PaDELnHBdCount of E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnwHBdCount of E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnHBaCount of E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D2
PaDELnwHBaCount of E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D9
PaDELnHBint2Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELnHBint3Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELnHBint4Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELnHBint5Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELnHBint6Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELnHBint7Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELnHBint8Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELnHBint9Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELnHBint10Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELnHsOHCount of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELnHdNHCount of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnHsSHCount of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELnHsNH2Count of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnHssNHCount of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnHaaNHCount of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELnHsNH3pCount of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnHssNH2pCount of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELnHsssNHpCount of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELnHtCHCount of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELnHdCH2Count of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnHdsCHCount of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D7
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 descriptor2D0
PaDELnHCsatuCount of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0
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 descriptor2D7
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 descriptor2D1
PaDELndCH2Count of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnssCH2Count of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0
PaDELntCHCount of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELndsCHCount of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D7
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 descriptor2D0
PaDELndOCount of atom-type E-State: =OElectrotopological State Atom Type descriptor2D1
PaDELnssOCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D1
PaDELnaaOCount of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELnaOmCount of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELnsOmCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELnsFCount of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELnsSiH3Count of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELnssSiH2Count of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSiHCount of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSiCount of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELnsPH2Count of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELnssPHCount of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELnsssPCount of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELndsssPCount of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELnddsPCount of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELnsssssPCount of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELnsSHCount of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELndSCount of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELnssSCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnaaSCount of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELndssSCount of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELnddssSCount of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELnssssssSCount of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELnSmCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnsClCount of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELnsGeH3Count of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELnssGeH2Count of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssGeHCount of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELnssssGeCount of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELnsAsH2Count of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELnssAsHCount of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELnsssAsCount of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELndsssAsCount of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELnddsAsCount of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELnsssssAsCount of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELnsSeHCount of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELndSeCount of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELnssSeCount of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELnaaSeCount of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELndssSeCount of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELnssssssSeCount of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELnddssSeCount of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELnsBrCount of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELnsSnH3Count of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELnssSnH2Count of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSnHCount of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSnCount of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELnsICount of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELnsPbH3Count of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELnssPbH2Count of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssPbHCount of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELnssssPbCount of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELSHBdSum of E-States for (strong) hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSwHBdSum of E-States for weak hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSHBaSum of E-States for (strong) hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D15.122
PaDELSwHBaSum of E-States for weak hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D13.352
PaDELSHBint2Sum of E-State descriptors of strength for potential hydrogen bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELSHBint3Sum of E-State descriptors of strength for potential hydrogen bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELSHBint4Sum of E-State descriptors of strength for potential hydrogen bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELSHBint5Sum of E-State descriptors of strength for potential hydrogen bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELSHBint6Sum of E-State descriptors of strength for potential hydrogen bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELSHBint7Sum of E-State descriptors of strength for potential hydrogen bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELSHBint8Sum of E-State descriptors of strength for potential hydrogen bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELSHBint9Sum of E-State descriptors of strength for potential hydrogen bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELSHBint10Sum of E-State descriptors of strength for potential hydrogen bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELSHsOHSum of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSHdNHSum of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSHsSHSum of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSHsNH2Sum of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSHssNHSum of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSHaaNHSum of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELSHsNH3pSum of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSHssNH2pSum of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSHsssNHpSum of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSHtCHSum of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSHdCH2Sum of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSHdsCHSum of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D3.603
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
PaDELSHCsatuSum of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0
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 descriptor2D3.603
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 descriptor2D1.359
PaDELSdCH2Sum of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSssCH2Sum of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0
PaDELStCHSum of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSdsCHSum of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D12.698
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 descriptor2D0.654
PaDELSaasCSum of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELSaaaCSum of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELSssssCSum of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELSsNH3pSum of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSsNH2Sum of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSssNH2pSum of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSdNHSum of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSssNHSum of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSaaNHSum of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELStNSum of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELSsssNHpSum of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSdsNSum of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELSaaNSum of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELSsssNSum of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELSddsNSum of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELSaasNSum of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELSssssNpSum of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELSsOHSum of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSdOSum of atom-type E-State: =OElectrotopological State Atom Type descriptor2D10.676
PaDELSssOSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.446
PaDELSaaOSum of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELSaOmSum of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELSsOmSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELSsFSum of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELSsSiH3Sum of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELSssSiH2Sum of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSiHSum of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSiSum of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELSsPH2Sum of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELSssPHSum of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELSsssPSum of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELSdsssPSum of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELSddsPSum of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELSsssssPSum of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELSsSHSum of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSdSSum of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELSssSSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSaaSSum of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELSdssSSum of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELSddssSSum of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELSssssssSSum of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELSSmSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSsClSum of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELSsGeH3Sum of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELSssGeH2Sum of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssGeHSum of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELSssssGeSum of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELSsAsH2Sum of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELSssAsHSum of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELSsssAsSum of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELSdsssAsSum of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELSddsAsSum of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELSsssssAsSum of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELSsSeHSum of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELSdSeSum of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELSssSeSum of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELSaaSeSum of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELSdssSeSum of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELSssssssSeSum of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELSddssSeSum of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELSsBrSum of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELSsSnH3Sum of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELSssSnH2Sum of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSnHSum of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSnSum of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELSsISum of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELSsPbH3Sum of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELSssPbH2Sum of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssPbHSum of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELSssssPbSum of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELminHBdMinimum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminwHBdMinimum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminHBaMinimum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D4.446
PaDELminwHBaMinimum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D-0.334
PaDELminHBint2Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELminHBint3Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELminHBint4Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELminHBint5Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELminHBint6Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELminHBint7Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELminHBint8Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELminHBint9Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELminHBint10Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELminHsOHMinimum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELminHdNHMinimum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminHsSHMinimum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELminHsNH2Minimum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminHssNHMinimum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminHaaNHMinimum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELminHsNH3pMinimum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminHssNH2pMinimum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELminHsssNHpMinimum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELminHtCHMinimum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELminHdCH2Minimum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminHdsCHMinimum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.474
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
PaDELminHCsatuMinimum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0
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 descriptor2D0.474
PaDELminHmiscMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELminsLiMinimum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELminssBeMinimum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELminssssBemMinimum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELminsBH2Minimum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELminssBHMinimum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELminsssBMinimum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELminssssBmMinimum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELminsCH3Minimum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D1.359
PaDELmindCH2Minimum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminssCH2Minimum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0
PaDELmintCHMinimum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmindsCHMinimum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D1.398
PaDELminaaCHMinimum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminsssCHMinimum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELminddCMinimum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmintsCMinimum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmindssCMinimum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D-0.334
PaDELminaasCMinimum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELminaaaCMinimum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELminssssCMinimum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELminsNH3pMinimum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminsNH2Minimum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminssNH2pMinimum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmindNHMinimum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminssNHMinimum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminaaNHMinimum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmintNMinimum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELminsssNHpMinimum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmindsNMinimum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELminaaNMinimum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELminsssNMinimum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELminddsNMinimum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELminaasNMinimum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELminssssNpMinimum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELminsOHMinimum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmindOMinimum atom-type E-State: =OElectrotopological State Atom Type descriptor2D10.676
PaDELminssOMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.446
PaDELminaaOMinimum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELminaOmMinimum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELminsOmMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELminsFMinimum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELminsSiH3Minimum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELminssSiH2Minimum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSiHMinimum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSiMinimum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELminsPH2Minimum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELminssPHMinimum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELminsssPMinimum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmindsssPMinimum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELminddsPMinimum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELminsssssPMinimum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELminsSHMinimum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmindSMinimum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELminssSMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminaaSMinimum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmindssSMinimum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELminddssSMinimum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELminssssssSMinimum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELminSmMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminsClMinimum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELminsGeH3Minimum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELminssGeH2Minimum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssGeHMinimum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELminssssGeMinimum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELminsAsH2Minimum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELminssAsHMinimum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELminsssAsMinimum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmindsssAsMinimum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELminddsAsMinimum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELminsssssAsMinimum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELminsSeHMinimum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmindSeMinimum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELminssSeMinimum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELminaaSeMinimum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmindssSeMinimum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELminssssssSeMinimum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELminddssSeMinimum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELminsBrMinimum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELminsSnH3Minimum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELminssSnH2Minimum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSnHMinimum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSnMinimum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELminsIMinimum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELminsPbH3Minimum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELminssPbH2Minimum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssPbHMinimum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELminssssPbMinimum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELmaxHBdMaximum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxwHBdMaximum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxHBaMaximum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D10.676
PaDELmaxwHBaMaximum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D1.926
PaDELmaxHBint2Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint3Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint4Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint5Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint6Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint7Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint8Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint9Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint10Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELmaxHsOHMaximum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdNHMaximum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsSHMaximum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsNH2Maximum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNHMaximum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxHaaNHMaximum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxHsNH3pMaximum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNH2pMaximum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHsssNHpMaximum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHtCHMaximum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdCH2Maximum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHdsCHMaximum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.629
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
PaDELmaxHCsatuMaximum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0
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 descriptor2D0.629
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 descriptor2D1.359
PaDELmaxdCH2Maximum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssCH2Maximum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxtCHMaximum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxdsCHMaximum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D1.926
PaDELmaxaaCHMaximum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssCHMaximum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELmaxddCMaximum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmaxtsCMaximum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmaxdssCMaximum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D0.989
PaDELmaxaasCMaximum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaaCMaximum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELmaxssssCMaximum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH3pMaximum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH2Maximum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssNH2pMaximum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdNHMaximum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxssNHMaximum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNHMaximum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxtNMaximum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELmaxsssNHpMaximum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdsNMaximum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNMaximum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssNMaximum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELmaxddsNMaximum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasNMaximum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssNpMaximum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELmaxsOHMaximum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxdOMaximum atom-type E-State: =OElectrotopological State Atom Type descriptor2D10.676
PaDELmaxssOMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D4.446
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 descriptor2D29.833
PaDELmeanIMean intrinsic state values IElectrotopological State Atom Type descriptor2D2.486
PaDELhmaxMaximum H E-StateElectrotopological State Atom Type descriptor2D0.66
PaDELgmaxMaximum E-StateElectrotopological State Atom Type descriptor2D10.676
PaDELhminMinimum H E-StateElectrotopological State Atom Type descriptor2D0.313
PaDELgminMinimum E-StateElectrotopological State Atom Type descriptor2D-0.334
PaDELLipoaffinityIndexLipoaffinity indexElectrotopological State Atom Type descriptor2D4.05
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 descriptor2D2.001
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 descriptor2D3.676
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 descriptor2D9.245
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 descriptor2D2.001
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 descriptor2D3.676
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 descriptor2D9.245
PaDELETA_AlphaSum of alpha values of all non-hydrogen vertices of a moleculeExtended Topochemical Atom descriptor2D5.667
PaDELETA_AlphaPSum of alpha values of all non-hydrogen vertices of a molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.472
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 descriptor2D0.028
PaDELETA_Epsilon_1A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.588
PaDELETA_Epsilon_2A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.828
PaDELETA_Epsilon_3A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.433
PaDELETA_Epsilon_4A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.511
PaDELETA_Epsilon_5A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.828
PaDELETA_dEpsilon_AA measure of contribution of unsaturation and electronegative atom countExtended Topochemical Atom descriptor2D0.155
PaDELETA_dEpsilon_BA measure of contribution of unsaturationExtended Topochemical Atom descriptor2D0.077
PaDELETA_dEpsilon_CA measure of contribution of electronegativityExtended Topochemical Atom descriptor2D-0.078
PaDELETA_dEpsilon_DA measure of contribution of hydrogen bond donor atomsExtended Topochemical Atom descriptor2D0
PaDELETA_Psi_1A measure of hydrogen bonding propensity of the molecules and/or polar surface areaExtended Topochemical Atom descriptor2D0.57
PaDELETA_dPsi_AA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0.144
PaDELETA_dPsi_BA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0
PaDELETA_Shape_PShape index PExtended Topochemical Atom descriptor2D0.147
PaDELETA_Shape_YShape index YExtended Topochemical Atom descriptor2D0.176
PaDELETA_Shape_XShape index XExtended Topochemical Atom descriptor2D0
PaDELETA_BetaA measure of electronic features of the moleculeExtended Topochemical Atom descriptor2D14.25
PaDELETA_BetaPA measure of electronic features of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D1.188
PaDELETA_Beta_sA measure of electronegative atom count of the moleculeExtended Topochemical Atom descriptor2D6.75
PaDELETA_BetaP_sA measure of electronegative atom count of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.563
PaDELETA_Beta_nsA measure of electron-richness of the moleculeExtended Topochemical Atom descriptor2D7.5
PaDELETA_BetaP_nsA measure of electron-richness of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.625
PaDELETA_dBetaA measure of relative unsaturation contentExtended Topochemical Atom descriptor2D0.75
PaDELETA_dBetaPA measure of relative unsaturation content relative to molecular sizeExtended Topochemical Atom descriptor2D0.063
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 descriptor2D5.91
PaDELETA_EtaPComposite index Eta relative to molecular sizeExtended Topochemical Atom descriptor2D0.492
PaDELETA_Eta_RComposite index Eta for reference alkaneExtended Topochemical Atom descriptor2D14.639
PaDELETA_Eta_FFunctionality index EtaFExtended Topochemical Atom descriptor2D8.73
PaDELETA_EtaP_FFunctionality index EtaF relative to molecular sizeExtended Topochemical Atom descriptor2D0.728
PaDELETA_Eta_LLocal index Eta_localExtended Topochemical Atom descriptor2D2.425
PaDELETA_EtaP_LLocal index Eta_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.202
PaDELETA_Eta_R_LLocal index Eta_local for reference alkaneExtended Topochemical Atom descriptor2D5.826
PaDELETA_Eta_F_LLocal functionality contribution EtaF_localExtended Topochemical Atom descriptor2D3.4
PaDELETA_EtaP_F_LLocal functionality contribution EtaF_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.283
PaDELETA_Eta_BBranching index EtaBExtended Topochemical Atom descriptor2D0.088
PaDELETA_EtaP_BBranching index EtaB relative to molecular sizeExtended Topochemical Atom descriptor2D0.007
PaDELETA_Eta_B_RCBranching index EtaB (with ring correction)Extended Topochemical Atom descriptor2D0.174
PaDELETA_EtaP_B_RCBranching index EtaB (with ring correction) relative to molecular sizeExtended Topochemical Atom descriptor2D0.015
PaDELFMFComplexity of a moleculeFMF descriptor2D0.273
PaDELfragCComplexity of a systemPaDEL Fragment Complexity descriptor2D12.02
PaDELnHBAccNumber of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)PaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc2Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc3Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc_LipinskiNumber of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBDonNumber of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)PaDEL HBond Donor Count descriptor2D0
PaDELnHBDon_LipinskiNumber of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor)PaDEL HBond Donor Count descriptor2D0
PaDELHybRatioFraction of sp3 carbons to sp2 carbonsHybridization Ratio descriptor2D0.1
PaDELIC0Information content index (neighborhood symmetry of 0-order)Information Content descriptor2D1.349
PaDELIC1Information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.457
PaDELIC2Information content index (neighborhood symmetry of 2-order)Information Content descriptor2D2.918
PaDELIC3Information content index (neighborhood symmetry of 3-order)Information Content descriptor2D3.72
PaDELIC4Information content index (neighborhood symmetry of 4-order)Information Content descriptor2D4.061
PaDELIC5Information content index (neighborhood symmetry of 5-order)Information Content descriptor2D4.061
PaDELTIC0Total information content index (neighborhood symmetry of 0-order)Information Content descriptor2D29.669
PaDELTIC1Total information content index (neighborhood symmetry of 1-order)Information Content descriptor2D54.05
PaDELTIC2Total information content index (neighborhood symmetry of 2-order)Information Content descriptor2D64.191
PaDELTIC3Total information content index (neighborhood symmetry of 3-order)Information Content descriptor2D81.843
PaDELTIC4Total information content index (neighborhood symmetry of 4-order)Information Content descriptor2D89.353
PaDELTIC5Total information content index (neighborhood symmetry of 5-order)Information Content descriptor2D89.353
PaDELSIC0Structural information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.302
PaDELSIC1Structural information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.551
PaDELSIC2Structural information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.654
PaDELSIC3Structural information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.834
PaDELSIC4Structural information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.911
PaDELSIC5Structural information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.911
PaDELCIC0Complementary information content index (neighborhood symmetry of 0-order)Information Content descriptor2D3.111
PaDELCIC1Complementary information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.003
PaDELCIC2Complementary information content index (neighborhood symmetry of 2-order)Information Content descriptor2D1.542
PaDELCIC3Complementary information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.739
PaDELCIC4Complementary information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.398
PaDELCIC5Complementary information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.398
PaDELBIC0Bond information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.284
PaDELBIC1Bond information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.517
PaDELBIC2Bond information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.614
PaDELBIC3Bond information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.782
PaDELBIC4Bond information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.854
PaDELBIC5Bond information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.854
PaDELMIC0Modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D11.756
PaDELMIC1Modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D21.014
PaDELMIC2Modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D26.546
PaDELMIC3Modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D31.107
PaDELMIC4Modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D31.451
PaDELMIC5Modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D31.451
PaDELZMIC0Z-modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D41.225
PaDELZMIC1Z-modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D33.825
PaDELZMIC2Z-modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D27.075
PaDELZMIC3Z-modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D20.477
PaDELZMIC4Z-modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D19.565
PaDELZMIC5Z-modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D19.565
PaDELKier1First kappa shape indexKappaShape Indices descriptor2D10.083
PaDELKier2Second kappa shape indexKappaShape Indices descriptor2D5.612
PaDELKier3Third kappa (κ) shape indexKappaShape Indices descriptor2D4
PaDELnAtomLCNumber of atoms in the largest chainLargest Chain descriptor2D6
PaDELnAtomPNumber of atoms in the largest pi systemLargest Pi System descriptor2D11
PaDELnAtomLACNumber of atoms in the longest aliphatic chainLongest Aliphatic Chain descriptor2D3
PaDELMLogPMannhold LogPMannhold LogP descriptor2D2.34
PaDELMcGowan_VolumeMcGowan characteristic volumeMcGowan Volume descriptor2D1.311
PaDELMDEC-11Molecular distance edge between all primary carbonsMDE descriptor2D0
PaDELMDEC-12Molecular distance edge between all primary and secondary carbonsMDE descriptor2D1.254
PaDELMDEC-13Molecular distance edge between all primary and tertiary carbonsMDE descriptor2D0.632
PaDELMDEC-14Molecular distance edge between all primary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-22Molecular distance edge between all secondary carbonsMDE descriptor2D9.563
PaDELMDEC-23Molecular distance edge between all secondary and tertiary carbonsMDE descriptor2D6.09
PaDELMDEC-24Molecular distance edge between all secondary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-33Molecular distance edge between all tertiary carbonsMDE descriptor2D0.333
PaDELMDEC-34Molecular distance edge between all tertiary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-44Molecular distance edge between all quaternary carbonsMDE descriptor2D0
PaDELMDEO-11Molecular distance edge between all primary oxygensMDE descriptor2D0
PaDELMDEO-12Molecular distance edge between all primary and secondary oxygensMDE descriptor2D0.5
PaDELMDEO-22Molecular distance edge between all secondary oxygensMDE descriptor2D0
PaDELMDEN-11Molecular distance edge between all primary nitrogensMDE descriptor2D0
PaDELMDEN-12Molecular distance edge between all primary and secondary nitrogensMDE descriptor2D0
PaDELMDEN-13Molecular distance edge between all primary and tertiary niroqensMDE descriptor2D0
PaDELMDEN-22Molecular distance edge between all secondary nitroqensMDE descriptor2D0
PaDELMDEN-23Molecular distance edge between all secondary and tertiary nitrogensMDE descriptor2D0
PaDELMDEN-33Molecular distance edge between all tertiary nitrogensMDE descriptor2D0
PaDELMLFER_AOverall or summation solute hydrogen bond acidityMLFER descriptor2D0.003
PaDELMLFER_BHOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.494
PaDELMLFER_BOOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.49
PaDELMLFER_SCombined dipolarity/polarizabilityMLFER descriptor2D1.084
PaDELMLFER_EExcessive molar refractionMLFER descriptor2D0.84
PaDELMLFER_LSolute gas-hexadecane partition coefficientMLFER descriptor2D5.447
PaDELMPC2Molecular path count of order 2Path Count descriptor2D14
PaDELMPC3Molecular path count of order 3Path Count descriptor2D15
PaDELMPC4Molecular path count of order 4Path Count descriptor2D15
PaDELMPC5Molecular path count of order 5Path Count descriptor2D17
PaDELMPC6Molecular path count of order 6Path Count descriptor2D12
PaDELMPC7Molecular path count of order 7Path Count descriptor2D10
PaDELMPC8Molecular path count of order 8Path Count descriptor2D8
PaDELMPC9Molecular path count of order 9Path Count descriptor2D6
PaDELMPC10Molecular path count of order 10Path Count descriptor2D2
PaDELTPCTotal path count (up to order 10)Path Count descriptor2D123
PaDELpiPC1Conventional bond order ID number of order 1Path Count descriptor2D2.89
PaDELpiPC2Conventional bond order ID number of order 2Path Count descriptor2D3.258
PaDELpiPC3Conventional bond order ID number of order 3Path Count descriptor2D3.689
PaDELpiPC4Conventional bond order ID number of order 4Path Count descriptor2D3.97
PaDELpiPC5Conventional bond order ID number of order 5Path Count descriptor2D4.443
PaDELpiPC6Conventional bond order ID number of order 6Path Count descriptor2D4.263
PaDELpiPC7Conventional bond order ID number of order 7Path Count descriptor2D4.443
PaDELpiPC8Conventional bond order ID number of order 8Path Count descriptor2D4.443
PaDELpiPC9Conventional bond order ID number of order 9Path Count descriptor2D4.489
PaDELpiPC10Conventional bond order ID number of order 10Path Count descriptor2D3.219
PaDELTpiPCTotal conventional bond orderPath Count descriptor2D6.363
PaDELR_TpiPCTPCRatio of total conventional bond order (up to order 10) with total path count (up to order 10)Path Count descriptor2D4.707
PaDELPetitjeanNumberPetitjean numberPetitjean Number descriptor2D0.5
PaDELnRingNumber of ringsRing Count descriptor2D1
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 descriptor2D1
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 descriptor2D1
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 descriptor2D1
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 descriptor2D3
PaDELRotBFracFraction of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.25
PaDELnRotBtNumber of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D4
PaDELRotBtFracFraction of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.333
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
PaDELGGI2Topological charge index of order 2Topological Charge descriptor2D0.889
PaDELGGI3Topological charge index of order 3Topological Charge descriptor2D0.188
PaDELGGI4Topological charge index of order 4Topological Charge descriptor2D0.311
PaDELGGI5Topological charge index of order 5Topological Charge descriptor2D0.201
PaDELGGI6Topological charge index of order 6Topological Charge descriptor2D0.082
PaDELGGI7Topological charge index of order 7Topological Charge descriptor2D0.071
PaDELGGI8Topological charge index of order 8Topological Charge descriptor2D0.02
PaDELGGI9Topological charge index of order 9Topological Charge descriptor2D0
PaDELGGI10Topological charge index of order 10Topological Charge descriptor2D0
PaDELJGI1Mean topological charge index of order 1Topological Charge descriptor2D0.167
PaDELJGI2Mean topological charge index of order 2Topological Charge descriptor2D0.063
PaDELJGI3Mean topological charge index of order 3Topological Charge descriptor2D0.016
PaDELJGI4Mean topological charge index of order 4Topological Charge descriptor2D0.039
PaDELJGI5Mean topological charge index of order 5Topological Charge descriptor2D0.025
PaDELJGI6Mean topological charge index of order 6Topological Charge descriptor2D0.012
PaDELJGI7Mean topological charge index of order 7Topological Charge descriptor2D0.018
PaDELJGI8Mean topological charge index of order 8Topological Charge descriptor2D0.02
PaDELJGI9Mean topological charge index of order 9Topological Charge descriptor2D0
PaDELJGI10Mean topological charge index of order 10Topological Charge descriptor2D0
PaDELJGTGlobal topological charge indexTopological Charge descriptor2D0.36
PaDELSpMax_DLeading eigenvalue from topological distance matrixTopological Distance Matrix descriptor2D38.876
PaDELSpDiam_DSpectral diameter from topological distance matrixTopological Distance Matrix descriptor2D60.279
PaDELSpAD_DSpectral absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D77.752
PaDELSpMAD_DSpectral mean absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D6.479
PaDELEE_DEstrada-like index from topological distance matrixTopological Distance Matrix descriptor2D38.876
PaDELVE1_DCoefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.09
PaDELVE2_DAverage coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.008
PaDELVE3_DLogarithmic coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D-2.888
PaDELVR1_DRandic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D99.658
PaDELVR2_DNormalized Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D8.305
PaDELVR3_DLogarithmic Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D5.522
PaDELTopoPSATopological polar surface areaTPSA descriptor2D26.3
PaDELVABCVan der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, Andreas M., Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds, The Journal of Organic Chemistry, 2003, 68:7368-7373]VABC descriptor2D162.658
PaDELVAdjMatVertex adjacency information (magnitude)VAdjMa descriptor2D4.585
PaDELMWC2Molecular walk count of order 2WalkCount descriptor2D3.97
PaDELMWC3Molecular walk count of order 3WalkCount descriptor2D4.71
PaDELMWC4Molecular walk count of order 4WalkCount descriptor2D5.476
PaDELMWC5Molecular walk count of order 5WalkCount descriptor2D6.236
PaDELMWC6Molecular walk count of order 6WalkCount descriptor2D7.009
PaDELMWC7Molecular walk count of order 7WalkCount descriptor2D7.776
PaDELMWC8Molecular walk count of order 8WalkCount descriptor2D8.551
PaDELMWC9Molecular walk count of order 9WalkCount descriptor2D9.321
PaDELMWC10Molecular walk count of order 10WalkCount descriptor2D10.097
PaDELTWCTotal walk count (up to order 10)WalkCount descriptor2D87.147
PaDELSRW2Self-returning walk count of order 2WalkCount descriptor2D3.219
PaDELSRW3Self-returning walk count of order 3WalkCount descriptor2D0
PaDELSRW4Self-returning walk count of order 4WalkCount descriptor2D4.394
PaDELSRW5Self-returning walk count of order 5WalkCount descriptor2D0
PaDELSRW6Self-returning walk count of order 6WalkCount descriptor2D5.765
PaDELSRW7Self-returning walk count of order 7WalkCount descriptor2D0
PaDELSRW8Self-returning walk count of order 8WalkCount descriptor2D7.21
PaDELSRW9Self-returning walk count of order 9WalkCount descriptor2D0
PaDELSRW10Self-returning walk count of order 10WalkCount descriptor2D8.689
PaDELTSRWTotal self-return walk countWalkCount descriptor2D8.952
PaDELMWMolecular weightPaDEL Weight descriptor2D162.068
PaDELAMWAverage molecular weight (Molecular weight / Total number of atoms)PaDEL Weight descriptor2D7.367
PaDELWTPT-1Molecular IDPaDEL Weighted Path descriptor2D23.533
PaDELWTPT-2Molecular ID / number of atomsPaDEL Weighted Path descriptor2D1.961
PaDELWTPT-3Sum of path lengths starting from heteroatomsPaDEL Weighted Path descriptor2D5.146
PaDELWTPT-4Sum of path lengths starting from oxygensPaDEL Weighted Path descriptor2D5.146
PaDELWTPT-5Sum of path lengths starting from nitrogensPaDEL Weighted Path descriptor2D0
PaDELWPATHWeiner path numberWiener Numbers descriptor2D226
PaDELWPOLWeiner polarity numberWiener Numbers descriptor2D12
PaDELXLogPXLogPXLogP descriptor2D2.208
PaDELZagrebSum of the squares of atom degree over all heavy atoms iZagreb Index descriptor2D52
PaDELTDB1u3D topological distance based autocorrelation - lag 1 / unweightedAuto correlation 3D descriptor3D1.252
PaDELTDB2u3D topological distance based autocorrelation - lag 2 / unweightedAuto correlation 3D descriptor3D2.22
PaDELTDB3u3D topological distance based autocorrelation - lag 3 / unweightedAuto correlation 3D descriptor3D3.089
PaDELTDB4u3D topological distance based autocorrelation - lag 4 / unweightedAuto correlation 3D descriptor3D3.97
PaDELTDB5u3D topological distance based autocorrelation - lag 5 / unweightedAuto correlation 3D descriptor3D4.984
PaDELTDB6u3D topological distance based autocorrelation - lag 6 / unweightedAuto correlation 3D descriptor3D6.03
PaDELTDB7u3D topological distance based autocorrelation - lag 7 / unweightedAuto correlation 3D descriptor3D7.282
PaDELTDB8u3D topological distance based autocorrelation - lag 8 / unweightedAuto correlation 3D descriptor3D8.044
PaDELTDB9u3D topological distance based autocorrelation - lag 9 / unweightedAuto correlation 3D descriptor3D9.295
PaDELTDB10u3D topological distance based autocorrelation - lag 10 / unweightedAuto correlation 3D descriptor3D10.226
PaDELTDB1m3D topological distance based autocorrelation - lag 1 / weighted by massAuto correlation 3D descriptor3D124.033
PaDELTDB2m3D topological distance based autocorrelation - lag 2 / weighted by massAuto correlation 3D descriptor3D171.253
PaDELTDB3m3D topological distance based autocorrelation - lag 3 / weighted by massAuto correlation 3D descriptor3D181.983
PaDELTDB4m3D topological distance based autocorrelation - lag 4 / weighted by massAuto correlation 3D descriptor3D189.54
PaDELTDB5m3D topological distance based autocorrelation - lag 5 / weighted by massAuto correlation 3D descriptor3D283.854
PaDELTDB6m3D topological distance based autocorrelation - lag 6 / weighted by massAuto correlation 3D descriptor3D373.254
PaDELTDB7m3D topological distance based autocorrelation - lag 7 / weighted by massAuto correlation 3D descriptor3D355.932
PaDELTDB8m3D topological distance based autocorrelation - lag 8 / weighted by massAuto correlation 3D descriptor3D141.94
PaDELTDB9m3D topological distance based autocorrelation - lag 9 / weighted by massAuto correlation 3D descriptor3D50.866
PaDELTDB10m3D topological distance based autocorrelation - lag 10 / weighted by massAuto correlation 3D descriptor3D10.391
PaDELTDB1v3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation 3D descriptor3D355.629
PaDELTDB2v3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation 3D descriptor3D511.261
PaDELTDB3v3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation 3D descriptor3D610.061
PaDELTDB4v3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation 3D descriptor3D671.142
PaDELTDB5v3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation 3D descriptor3D842.834
PaDELTDB6v3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1019.94
PaDELTDB7v3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1185.073
PaDELTDB8v3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation 3D descriptor3D842.838
PaDELTDB9v3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumesAuto correlation 3D descriptor3D601.348
PaDELTDB10v3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumesAuto correlation 3D descriptor3D317.872
PaDELTDB1e3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D9.69
PaDELTDB2e3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D17.326
PaDELTDB3e3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D23.24
PaDELTDB4e3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D30.091
PaDELTDB5e3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D37.412
PaDELTDB6e3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D48.002
PaDELTDB7e3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D58.294
PaDELTDB8e3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D58.785
PaDELTDB9e3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D63.941
PaDELTDB10e3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D68.705
PaDELTDB1p3D topological distance based autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.4
PaDELTDB2p3D topological distance based autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.577
PaDELTDB3p3D topological distance based autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.501
PaDELTDB4p3D topological distance based autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation 3D descriptor3D5.074
PaDELTDB5p3D topological distance based autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.138
PaDELTDB6p3D topological distance based autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.974
PaDELTDB7p3D topological distance based autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation 3D descriptor3D8.634
PaDELTDB8p3D topological distance based autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation 3D descriptor3D7.598
PaDELTDB9p3D topological distance based autocorrelation - lag 9 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.631
PaDELTDB10p3D topological distance based autocorrelation - lag 10 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.547
PaDELTDB1i3D topological distance based autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation 3D descriptor3D176.676
PaDELTDB2i3D topological distance based autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation 3D descriptor3D332.275
PaDELTDB3i3D topological distance based autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation 3D descriptor3D467.888
PaDELTDB4i3D topological distance based autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation 3D descriptor3D622.476
PaDELTDB5i3D topological distance based autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation 3D descriptor3D785.979
PaDELTDB6i3D topological distance based autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation 3D descriptor3D972.127
PaDELTDB7i3D topological distance based autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation 3D descriptor3D1154.719
PaDELTDB8i3D topological distance based autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation 3D descriptor3D1328.304
PaDELTDB9i3D topological distance based autocorrelation - lag 9 / weighted by first ionization potentialAuto correlation 3D descriptor3D1600.121
PaDELTDB10i3D topological distance based autocorrelation - lag 10 / weighted by first ionization potentialAuto correlation 3D descriptor3D1891.024
PaDELTDB1s3D topological distance based autocorrelation - lag 1 / weighted by I-stateAuto correlation 3D descriptor3D4.581
PaDELTDB2s3D topological distance based autocorrelation - lag 2 / weighted by I-stateAuto correlation 3D descriptor3D8.52
PaDELTDB3s3D topological distance based autocorrelation - lag 3 / weighted by I-stateAuto correlation 3D descriptor3D9.83
PaDELTDB4s3D topological distance based autocorrelation - lag 4 / weighted by I-stateAuto correlation 3D descriptor3D12.094
PaDELTDB5s3D topological distance based autocorrelation - lag 5 / weighted by I-stateAuto correlation 3D descriptor3D15.855
PaDELTDB6s3D topological distance based autocorrelation - lag 6 / weighted by I-stateAuto correlation 3D descriptor3D23.869
PaDELTDB7s3D topological distance based autocorrelation - lag 7 / weighted by I-stateAuto correlation 3D descriptor3D27.992
PaDELTDB8s3D topological distance based autocorrelation - lag 8 / weighted by I-stateAuto correlation 3D descriptor3D17.796
PaDELTDB9s3D topological distance based autocorrelation - lag 9 / weighted by I-stateAuto correlation 3D descriptor3D13.03
PaDELTDB10s3D topological distance based autocorrelation - lag 10 / weighted by I-stateAuto correlation 3D descriptor3D10.226
PaDELTDB1r3D topological distance based autocorrelation - lag 1 / weighted by covalent radiusAuto correlation 3D descriptor3D0.53
PaDELTDB2r3D topological distance based autocorrelation - lag 2 / weighted by covalent radiusAuto correlation 3D descriptor3D0.803
PaDELTDB3r3D topological distance based autocorrelation - lag 3 / weighted by covalent radiusAuto correlation 3D descriptor3D1.002
PaDELTDB4r3D topological distance based autocorrelation - lag 4 / weighted by covalent radiusAuto correlation 3D descriptor3D1.156
PaDELTDB5r3D topological distance based autocorrelation - lag 5 / weighted by covalent radiusAuto correlation 3D descriptor3D1.442
PaDELTDB6r3D topological distance based autocorrelation - lag 6 / weighted by covalent radiusAuto correlation 3D descriptor3D1.769
PaDELTDB7r3D topological distance based autocorrelation - lag 7 / weighted by covalent radiusAuto correlation 3D descriptor3D2.129
PaDELTDB8r3D topological distance based autocorrelation - lag 8 / weighted by covalent radiusAuto correlation 3D descriptor3D1.721
PaDELTDB9r3D topological distance based autocorrelation - lag 9 / weighted by covalent radiusAuto correlation 3D descriptor3D1.466
PaDELTDB10r3D topological distance based autocorrelation - lag 10 / weighted by covalent radiusAuto correlation 3D descriptor3D1.047
PaDELPPSA-1Partial positive surface area -- sum of surface area on positive parts of moleculeCPSA descriptor3D348.077
PaDELPPSA-2Partial positive surface area * total positive charge on the moleculeCPSA descriptor3D328.854
PaDELPPSA-3Charge weighted partial positive surface areaCPSA descriptor3D26.24
PaDELPNSA-1Partial negative surface area -- sum of surface area on negative parts of moleculeCPSA descriptor3D176.45
PaDELPNSA-2Partial negative surface area * total negative charge on the moleculeCPSA descriptor3D-166.705
PaDELPNSA-3Charge weighted partial negative surface areaCPSA descriptor3D-22.093
PaDELDPSA-1Difference of PPSA-1 and PNSA-1CPSA descriptor3D171.627
PaDELDPSA-2Difference of FPSA-2 and PNSA-2CPSA descriptor3D495.56
PaDELDPSA-3Difference of PPSA-3 and PNSA-3CPSA descriptor3D48.333
PaDELFPSA-1PPSA-1 / total molecular surface areaCPSA descriptor3D0.664
PaDELFPSA-2PPSA-2 / total molecular surface areaCPSA descriptor3D0.627
PaDELFPSA-3PPSA-3 / total molecular surface areaCPSA descriptor3D0.05
PaDELFNSA-1PNSA-1 / total molecular surface areaCPSA descriptor3D0.336
PaDELFNSA-2PNSA-2 / total molecular surface areaCPSA descriptor3D-0.318
PaDELFNSA-3PNSA-3 / total molecular surface areaCPSA descriptor3D-0.042
PaDELWPSA-1PPSA-1 * total molecular surface area / 1000CPSA descriptor3D182.575
PaDELWPSA-2PPSA-2 * total molecular surface area /1000CPSA descriptor3D172.493
PaDELWPSA-3PPSA-3 * total molecular surface area / 1000CPSA descriptor3D13.763
PaDELWNSA-1PNSA-1 * total molecular surface area /1000CPSA descriptor3D92.552
PaDELWNSA-2PNSA-2 * total molecular surface area / 1000CPSA descriptor3D-87.441
PaDELWNSA-3PNSA-3 * total molecular surface area / 1000CPSA descriptor3D-11.589
PaDELRPCGRelative positive charge -- most positive charge / total positive chargeCPSA descriptor3D0.302
PaDELRNCGRelative negative charge -- most negative charge / total negative chargeCPSA descriptor3D0.334
PaDELRPCSRelative positive charge surface area -- most positive surface area * RPCGCPSA descriptor3D9.167
PaDELRNCSRelative negative charge surface area -- most negative surface area * RNCGCPSA descriptor3D5.746
PaDELTHSASum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2CPSA descriptor3D438.334
PaDELTPSATopological polar surface areaMolecular property descriptor2D86.192
PaDELRHSATHSA / total molecular surface areaCPSA descriptor3D0.836
PaDELRPSATPSA / total molecular surface areaCPSA descriptor3D0.164
PaDELGRAV-1Gravitational index of heavy atomsGravitational Index descriptor3D982.878
PaDELGRAV-2Square root of gravitational index of heavy atomsGravitational Index descriptor3D31.351
PaDELGRAV-3Cube root of gravitational index of heavy atomsGravitational Index descriptor3D9.943
PaDELGRAVH-1Gravitational index - hydrogens includedGravitational Index descriptor3D1084.154
PaDELGRAVH-2Square root of hydrogen-included gravitational indexGravitational Index descriptor3D32.927
PaDELGRAVH-3Cube root of hydrogen-included gravitational indexGravitational Index descriptor3D10.273
PaDELGRAV-4Gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D1701.34
PaDELGRAV-5Square root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D41.247
PaDELGRAV-6Cube root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D11.938
PaDELLOBMAXThe maximum L/B ratioLength Over Breadth descriptor3D2.026
PaDELLOBMINThe L/B ratio for the rotation that results in the minimum areaLength Over Breadth descriptor3D2.026
PaDELMOMI-XMoment of inertia along X axisMoment Of Inertia descriptor3D1537.484
PaDELMOMI-YMoment of inertia along Y axisMoment Of Inertia descriptor3D1398.805
PaDELMOMI-ZMoment of inertia along Z axisMoment Of Inertia descriptor3D151.551
PaDELMOMI-XYX/YMoment Of Inertia descriptor3D1.099
PaDELMOMI-XZX/ZMoment Of Inertia descriptor3D10.145
PaDELMOMI-YZY/ZMoment Of Inertia descriptor3D9.23
PaDELMOMI-RRadius of gyrationMoment Of Inertia descriptor3D5.166
PaDELgeomRadiusGeometrical radius (minimum geometric eccentricity)PaDEL Petitjean Shape Index descriptor3D5.61
PaDELgeomDiameterGeometrical diameterPaDEL Petitjean Shape Index descriptor3D10.385
PaDELgeomShapePetitjean geometric shape indexPaDEL Petitjean Shape Index descriptor3D0.851
PaDELRDF10uRadial distribution function - 010 / unweightedRDF descriptor3D4.577
PaDELRDF15uRadial distribution function - 015 / unweightedRDF descriptor3D4.645
PaDELRDF20uRadial distribution function - 020 / unweightedRDF descriptor3D3.396
PaDELRDF25uRadial distribution function - 025 / unweightedRDF descriptor3D12.88
PaDELRDF30uRadial distribution function - 030 / unweightedRDF descriptor3D1.537
PaDELRDF35uRadial distribution function - 035 / unweightedRDF descriptor3D4.981
PaDELRDF40uRadial distribution function - 040 / unweightedRDF descriptor3D6.955
PaDELRDF45uRadial distribution function - 045 / unweightedRDF descriptor3D4.305
PaDELRDF50uRadial distribution function - 050 / unweightedRDF descriptor3D11.256
PaDELRDF55uRadial distribution function - 055 / unweightedRDF descriptor3D1.35
PaDELRDF60uRadial distribution function - 060 / unweightedRDF descriptor3D3.451
PaDELRDF65uRadial distribution function - 065 / unweightedRDF descriptor3D6.684
PaDELRDF70uRadial distribution function - 070 / unweightedRDF descriptor3D3.142
PaDELRDF75uRadial distribution function - 075 / unweightedRDF descriptor3D2.685
PaDELRDF80uRadial distribution function - 080 / unweightedRDF descriptor3D1.41
PaDELRDF85uRadial distribution function - 085 / unweightedRDF descriptor3D1.708
PaDELRDF90uRadial distribution function - 090 / unweightedRDF descriptor3D1.11
PaDELRDF95uRadial distribution function - 095 / unweightedRDF descriptor3D1.489
PaDELRDF100uRadial distribution function - 100 / unweightedRDF descriptor3D0.356
PaDELRDF105uRadial distribution function - 105 / unweightedRDF descriptor3D0.264
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 descriptor3D0.394
PaDELRDF15mRadial distribution function - 015 / weighted by relative massRDF descriptor3D4.899
PaDELRDF20mRadial distribution function - 020 / weighted by relative massRDF descriptor3D0.329
PaDELRDF25mRadial distribution function - 025 / weighted by relative massRDF descriptor3D7.517
PaDELRDF30mRadial distribution function - 030 / weighted by relative massRDF descriptor3D1.173
PaDELRDF35mRadial distribution function - 035 / weighted by relative massRDF descriptor3D1.446
PaDELRDF40mRadial distribution function - 040 / weighted by relative massRDF descriptor3D0.672
PaDELRDF45mRadial distribution function - 045 / weighted by relative massRDF descriptor3D1.009
PaDELRDF50mRadial distribution function - 050 / weighted by relative massRDF descriptor3D2.477
PaDELRDF55mRadial distribution function - 055 / weighted by relative massRDF descriptor3D0.037
PaDELRDF60mRadial distribution function - 060 / weighted by relative massRDF descriptor3D1.714
PaDELRDF65mRadial distribution function - 065 / weighted by relative massRDF descriptor3D4.933
PaDELRDF70mRadial distribution function - 070 / weighted by relative massRDF descriptor3D0.653
PaDELRDF75mRadial distribution function - 075 / weighted by relative massRDF descriptor3D0.369
PaDELRDF80mRadial distribution function - 080 / weighted by relative massRDF descriptor3D0.237
PaDELRDF85mRadial distribution function - 085 / weighted by relative massRDF descriptor3D1.063
PaDELRDF90mRadial distribution function - 090 / weighted by relative massRDF descriptor3D0.086
PaDELRDF95mRadial distribution function - 095 / weighted by relative massRDF descriptor3D0.041
PaDELRDF100mRadial distribution function - 100 / weighted by relative massRDF descriptor3D0.005
PaDELRDF105mRadial distribution function - 105 / weighted by relative massRDF descriptor3D0.002
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 descriptor3D1.243
PaDELRDF15vRadial distribution function - 015 / weighted by relative van der Waals volumesRDF descriptor3D4.425
PaDELRDF20vRadial distribution function - 020 / weighted by relative van der Waals volumesRDF descriptor3D0.766
PaDELRDF25vRadial distribution function - 025 / weighted by relative van der Waals volumesRDF descriptor3D7.665
PaDELRDF30vRadial distribution function - 030 / weighted by relative van der Waals volumesRDF descriptor3D1.078
PaDELRDF35vRadial distribution function - 035 / weighted by relative van der Waals volumesRDF descriptor3D1.79
PaDELRDF40vRadial distribution function - 040 / weighted by relative van der Waals volumesRDF descriptor3D1.87
PaDELRDF45vRadial distribution function - 045 / weighted by relative van der Waals volumesRDF descriptor3D1.381
PaDELRDF50vRadial distribution function - 050 / weighted by relative van der Waals volumesRDF descriptor3D3.323
PaDELRDF55vRadial distribution function - 055 / weighted by relative van der Waals volumesRDF descriptor3D0.169
PaDELRDF60vRadial distribution function - 060 / weighted by relative van der Waals volumesRDF descriptor3D1.331
PaDELRDF65vRadial distribution function - 065 / weighted by relative van der Waals volumesRDF descriptor3D3.816
PaDELRDF70vRadial distribution function - 070 / weighted by relative van der Waals volumesRDF descriptor3D0.949
PaDELRDF75vRadial distribution function - 075 / weighted by relative van der Waals volumesRDF descriptor3D0.601
PaDELRDF80vRadial distribution function - 080 / weighted by relative van der Waals volumesRDF descriptor3D0.439
PaDELRDF85vRadial distribution function - 085 / weighted by relative van der Waals volumesRDF descriptor3D1.148
PaDELRDF90vRadial distribution function - 090 / weighted by relative van der Waals volumesRDF descriptor3D0.277
PaDELRDF95vRadial distribution function - 095 / weighted by relative van der Waals volumesRDF descriptor3D0.187
PaDELRDF100vRadial distribution function - 100 / weighted by relative van der Waals volumesRDF descriptor3D0.032
PaDELRDF105vRadial distribution function - 105 / weighted by relative van der Waals volumesRDF descriptor3D0.019
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 descriptor3D4.324
PaDELRDF15eRadial distribution function - 015 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.899
PaDELRDF20eRadial distribution function - 020 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.759
PaDELRDF25eRadial distribution function - 025 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.82
PaDELRDF30eRadial distribution function - 030 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.558
PaDELRDF35eRadial distribution function - 035 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.987
PaDELRDF40eRadial distribution function - 040 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.831
PaDELRDF45eRadial distribution function - 045 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.368
PaDELRDF50eRadial distribution function - 050 / weighted by relative Sanderson electronegativitiesRDF descriptor3D11.313
PaDELRDF55eRadial distribution function - 055 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.221
PaDELRDF60eRadial distribution function - 060 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.593
PaDELRDF65eRadial distribution function - 065 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.277
PaDELRDF70eRadial distribution function - 070 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.233
PaDELRDF75eRadial distribution function - 075 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.558
PaDELRDF80eRadial distribution function - 080 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.438
PaDELRDF85eRadial distribution function - 085 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.807
PaDELRDF90eRadial distribution function - 090 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.041
PaDELRDF95eRadial distribution function - 095 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.347
PaDELRDF100eRadial distribution function - 100 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0.318
PaDELRDF105eRadial distribution function - 105 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0.235
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 descriptor3D1.828
PaDELRDF15pRadial distribution function - 015 / weighted by relative polarizabilitiesRDF descriptor3D4.244
PaDELRDF20pRadial distribution function - 020 / weighted by relative polarizabilitiesRDF descriptor3D0.965
PaDELRDF25pRadial distribution function - 025 / weighted by relative polarizabilitiesRDF descriptor3D7.974
PaDELRDF30pRadial distribution function - 030 / weighted by relative polarizabilitiesRDF descriptor3D1.069
PaDELRDF35pRadial distribution function - 035 / weighted by relative polarizabilitiesRDF descriptor3D2.153
PaDELRDF40pRadial distribution function - 040 / weighted by relative polarizabilitiesRDF descriptor3D2.643
PaDELRDF45pRadial distribution function - 045 / weighted by relative polarizabilitiesRDF descriptor3D1.639
PaDELRDF50pRadial distribution function - 050 / weighted by relative polarizabilitiesRDF descriptor3D4.066
PaDELRDF55pRadial distribution function - 055 / weighted by relative polarizabilitiesRDF descriptor3D0.301
PaDELRDF60pRadial distribution function - 060 / weighted by relative polarizabilitiesRDF descriptor3D1.308
PaDELRDF65pRadial distribution function - 065 / weighted by relative polarizabilitiesRDF descriptor3D3.549
PaDELRDF70pRadial distribution function - 070 / weighted by relative polarizabilitiesRDF descriptor3D1.18
PaDELRDF75pRadial distribution function - 075 / weighted by relative polarizabilitiesRDF descriptor3D0.833
PaDELRDF80pRadial distribution function - 080 / weighted by relative polarizabilitiesRDF descriptor3D0.559
PaDELRDF85pRadial distribution function - 085 / weighted by relative polarizabilitiesRDF descriptor3D1.181
PaDELRDF90pRadial distribution function - 090 / weighted by relative polarizabilitiesRDF descriptor3D0.414
PaDELRDF95pRadial distribution function - 095 / weighted by relative polarizabilitiesRDF descriptor3D0.332
PaDELRDF100pRadial distribution function - 100 / weighted by relative polarizabilitiesRDF descriptor3D0.064
PaDELRDF105pRadial distribution function - 105 / weighted by relative polarizabilitiesRDF descriptor3D0.042
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 descriptor3D5.528
PaDELRDF15iRadial distribution function - 015 / weighted by relative first ionization potentialRDF descriptor3D4.806
PaDELRDF20iRadial distribution function - 020 / weighted by relative first ionization potentialRDF descriptor3D4.574
PaDELRDF25iRadial distribution function - 025 / weighted by relative first ionization potentialRDF descriptor3D15.501
PaDELRDF30iRadial distribution function - 030 / weighted by relative first ionization potentialRDF descriptor3D1.776
PaDELRDF35iRadial distribution function - 035 / weighted by relative first ionization potentialRDF descriptor3D5.986
PaDELRDF40iRadial distribution function - 040 / weighted by relative first ionization potentialRDF descriptor3D8.598
PaDELRDF45iRadial distribution function - 045 / weighted by relative first ionization potentialRDF descriptor3D5.622
PaDELRDF50iRadial distribution function - 050 / weighted by relative first ionization potentialRDF descriptor3D14.506
PaDELRDF55iRadial distribution function - 055 / weighted by relative first ionization potentialRDF descriptor3D1.879
PaDELRDF60iRadial distribution function - 060 / weighted by relative first ionization potentialRDF descriptor3D4.477
PaDELRDF65iRadial distribution function - 065 / weighted by relative first ionization potentialRDF descriptor3D8.019
PaDELRDF70iRadial distribution function - 070 / weighted by relative first ionization potentialRDF descriptor3D3.917
PaDELRDF75iRadial distribution function - 075 / weighted by relative first ionization potentialRDF descriptor3D3.509
PaDELRDF80iRadial distribution function - 080 / weighted by relative first ionization potentialRDF descriptor3D1.769
PaDELRDF85iRadial distribution function - 085 / weighted by relative first ionization potentialRDF descriptor3D1.975
PaDELRDF90iRadial distribution function - 090 / weighted by relative first ionization potentialRDF descriptor3D1.372
PaDELRDF95iRadial distribution function - 095 / weighted by relative first ionization potentialRDF descriptor3D2.072
PaDELRDF100iRadial distribution function - 100 / weighted by relative first ionization potentialRDF descriptor3D0.511
PaDELRDF105iRadial distribution function - 105 / weighted by relative first ionization potentialRDF descriptor3D0.385
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 descriptor3D2.469
PaDELRDF15sRadial distribution function - 015 / weighted by relative I-stateRDF descriptor3D5.108
PaDELRDF20sRadial distribution function - 020 / weighted by relative I-stateRDF descriptor3D2.495
PaDELRDF25sRadial distribution function - 025 / weighted by relative I-stateRDF descriptor3D11.296
PaDELRDF30sRadial distribution function - 030 / weighted by relative I-stateRDF descriptor3D1.842
PaDELRDF35sRadial distribution function - 035 / weighted by relative I-stateRDF descriptor3D3.665
PaDELRDF40sRadial distribution function - 040 / weighted by relative I-stateRDF descriptor3D4.051
PaDELRDF45sRadial distribution function - 045 / weighted by relative I-stateRDF descriptor3D2.769
PaDELRDF50sRadial distribution function - 050 / weighted by relative I-stateRDF descriptor3D8.967
PaDELRDF55sRadial distribution function - 055 / weighted by relative I-stateRDF descriptor3D0.457
PaDELRDF60sRadial distribution function - 060 / weighted by relative I-stateRDF descriptor3D2.902
PaDELRDF65sRadial distribution function - 065 / weighted by relative I-stateRDF descriptor3D10.425
PaDELRDF70sRadial distribution function - 070 / weighted by relative I-stateRDF descriptor3D2.678
PaDELRDF75sRadial distribution function - 075 / weighted by relative I-stateRDF descriptor3D1.431
PaDELRDF80sRadial distribution function - 080 / weighted by relative I-stateRDF descriptor3D0.957
PaDELRDF85sRadial distribution function - 085 / weighted by relative I-stateRDF descriptor3D1.619
PaDELRDF90sRadial distribution function - 090 / weighted by relative I-stateRDF descriptor3D0.561
PaDELRDF95sRadial distribution function - 095 / weighted by relative I-stateRDF descriptor3D0.504
PaDELRDF100sRadial distribution function - 100 / weighted by relative I-stateRDF descriptor3D0.103
PaDELRDF105sRadial distribution function - 105 / weighted by relative I-stateRDF descriptor3D0.071
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 descriptor3D10.835
PaDELL2u2nd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D1.525
PaDELL3u3rd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D0.116
PaDELP1u1st component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.868
PaDELP2u2nd component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.122
PaDELE1u1st component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.568
PaDELE2u2nd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.451
PaDELE3u3rd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.232
PaDELTuT total size index / unweightedPaDEL WHIM descriptor3D12.475
PaDELAuA total size index / unweightedPaDEL WHIM descriptor3D17.953
PaDELVuV total size index / unweightedPaDEL WHIM descriptor3D32.338
PaDELKuK global shape index / unweightedPaDEL WHIM descriptor3D0.803
PaDELDuD total accessibility index / unweightedPaDEL WHIM descriptor3D1.251
PaDELL1m1st component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D8.598
PaDELL2m2nd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.905
PaDELL3m3rd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.04
PaDELP1m1st component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.901
PaDELP2m2nd component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.095
PaDELE1m1st component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.36
PaDELE2m2nd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.161
PaDELE3m3rd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.027
PaDELTmT total size index / weighted by relative massPaDEL WHIM descriptor3D9.543
PaDELAmA total size index / weighted by relative massPaDEL WHIM descriptor3D8.167
PaDELVmV total size index / weighted by relative massPaDEL WHIM descriptor3D18.023
PaDELKmK global shape index / weighted by relative massPaDEL WHIM descriptor3D0.851
PaDELDmD total accessibility index / weighted by relative massPaDEL WHIM descriptor3D0.548
PaDELL1v1st component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D9.214
PaDELL2v2nd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.068
PaDELL3v3rd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.062
PaDELP1v1st component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.891
PaDELP2v2nd component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.103
PaDELE1v1st component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.411
PaDELE2v2nd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.223
PaDELE3v3rd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.067
PaDELTvT total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D10.344
PaDELAvA total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D10.479
PaDELVvV total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D21.433
PaDELKvK global shape index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.836
PaDELDvD total accessibility index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.701
PaDELL1e1st component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D10.72
PaDELL2e2nd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.498
PaDELL3e3rd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.112
PaDELP1e1st component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.869
PaDELP2e2nd component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.122
PaDELE1e1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.556
PaDELE2e2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.437
PaDELE3e3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.218
PaDELTeT total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D12.33
PaDELAeA total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D17.432
PaDELVeV total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D31.563
PaDELKeK global shape index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.804
PaDELDeD total accessibility index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.211
PaDELL1p1st component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D9.613
PaDELL2p2nd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.175
PaDELL3p3rd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.075
PaDELP1p1st component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.885
PaDELP2p2nd component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.108
PaDELE1p1st component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.447
PaDELE2p2nd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.268
PaDELE3p3rd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.097
PaDELTpT total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D10.863
PaDELApA total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D12.102
PaDELVpV total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D23.809
PaDELKpK global shape index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.827
PaDELDpD total accessibility index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.813
PaDELL1i1st component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D11.09
PaDELL2i2nd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.599
PaDELL3i3rd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.124
PaDELP1i1st component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.866
PaDELP2i2nd component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.125
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 descriptor3D0.495
PaDELE3i3rd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.268
PaDELTiT total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D12.813
PaDELAiA total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D19.303
PaDELViV total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D34.316
PaDELKiK global shape index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.798
PaDELDiD total accessibility index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.359
PaDELL1s1st component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D10.714
PaDELL2s2nd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D1.509
PaDELL3s3rd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.113
PaDELP1s1st component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.869
PaDELP2s2nd component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.122
PaDELE1s1st component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.556
PaDELE2s2nd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.443
PaDELE3s3rd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.221
PaDELTsT total size index / weighted by relative I-statePaDEL WHIM descriptor3D12.335
PaDELAsA total size index / weighted by relative I-statePaDEL WHIM descriptor3D17.543
PaDELVsV total size index / weighted by relative I-statePaDEL WHIM descriptor3D31.701
PaDELKsK global shape index / weighted by relative I-statePaDEL WHIM descriptor3D0.803
PaDELDsD total accessibility index / weighted by relative I-statePaDEL WHIM descriptor3D1.22
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.