Secondary metabolite:3-Hexanol



Chemical descriptors


ToolDescriptorDescriptionDescriptor classTypeResult
PaDELnAcidNumber of acidic groups. The list of acidic groups is defined by these SMARTS $([O;H1]-[C,S,P]=O), $([*;-;!$(*~[*;+])]), $([NH](S(=O)=O)C(F)(F)F), and $(n1nnnc1) originally presented in JOELibAcidic Group Count descriptor2D0
PaDELALogPGhose-Crippen LogKowALOGP descriptor2D-1.272
PaDELALogp2Square of AlogPALOGP descriptor2D1.618
PaDELAMRMolar refractivityALOGP descriptor2D26.495
PaDELapolSum of the atomic polarizabilities (including implicit hydrogens)APol descriptor2D20.697
PaDELnaAromAtomNumber of aromatic atomsAromatic Atoms Count descriptor2D0
PaDELnAromBondNumber of aromatic bondsAromatic Bonds Count descriptor2D0
PaDELnAtomNumber of atomsAtom Count descriptor2D21
PaDELnHeavyAtomNumber of heavy atoms (i.e. not hydrogen)Atom Count descriptor2D7
PaDELnHNumber of hydrogen atomsAtom Count descriptor2D14
PaDELnBNumber of boron atomsAtom Count descriptor2D0
PaDELnCNumber of carbon atomsAtom Count descriptor2D6
PaDELnNNumber of nitrogen atomsAtom Count descriptor2D0
PaDELnONumber of oxygen atomsAtom Count descriptor2D1
PaDELnSNumber of sulphur atomsAtom Count descriptor2D0
PaDELnPNumber of phosphorus atomsAtom Count descriptor2D0
PaDELnFNumber of Fluorine AtomsConstitutional descriptor1D0
PaDELnClNumber of chlorine atomsAtom Count descriptor2D0
PaDELnBrNumber of bromine atomsAtom Count descriptor2D0
PaDELnINumber of iodine atomsAtom Count descriptor2D0
PaDELnXNumber of halogen atoms (F, Cl, Br, I, At, Uus)Atom Count descriptor2D0
PaDELATS0mBroto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D1135.778
PaDELATS1mBroto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1087.004
PaDELATS2mBroto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D1240.905
PaDELATS3mBroto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1120.893
PaDELATS4mBroto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D762.239
PaDELATS5mBroto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D344.112
PaDELATS6mBroto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D87.883
PaDELATS7mBroto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D9.145
PaDELATS8mBroto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELATS0vBroto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D3192.665
PaDELATS1vBroto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D3993.904
PaDELATS2vBroto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D5070.763
PaDELATS3vBroto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D4922.082
PaDELATS4vBroto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D3871.472
PaDELATS5vBroto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D2491.168
PaDELATS6vBroto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D1154.676
PaDELATS7vBroto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D279.754
PaDELATS8vBroto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELATS0eBroto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D152.653
PaDELATS1eBroto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D149.737
PaDELATS2eBroto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D269.637
PaDELATS3eBroto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D349.779
PaDELATS4eBroto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D306.886
PaDELATS5eBroto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D235.18
PaDELATS6eBroto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D143.483
PaDELATS7eBroto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D60.466
PaDELATS8eBroto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELATS0pBroto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D23.601
PaDELATS1pBroto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D30.295
PaDELATS2pBroto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D41.755
PaDELATS3pBroto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D42.565
PaDELATS4pBroto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D34.742
PaDELATS5pBroto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D24.645
PaDELATS6pBroto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D13.35
PaDELATS7pBroto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D4.002
PaDELATS8pBroto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELATS0iBroto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D3535.065
PaDELATS1iBroto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D2963.093
PaDELATS2iBroto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D5878.881
PaDELATS3iBroto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D8067.283
PaDELATS4iBroto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D7143.127
PaDELATS5iBroto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D5695.213
PaDELATS6iBroto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D3692.5
PaDELATS7iBroto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D1664.259
PaDELATS8iBroto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELATS0sBroto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D66.528
PaDELATS1sBroto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D48.583
PaDELATS2sBroto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D75.583
PaDELATS3sBroto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D101.583
PaDELATS4sBroto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D91
PaDELATS5sBroto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D59
PaDELATS6sBroto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D27
PaDELATS7sBroto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D9
PaDELATS8sBroto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELAATS0mAverage Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D54.085
PaDELAATS1mAverage Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D54.35
PaDELAATS2mAverage Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D33.538
PaDELAATS3mAverage Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D23.352
PaDELAATS4mAverage Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D18.149
PaDELAATS5mAverage Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D10.428
PaDELAATS6mAverage Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D4.185
PaDELAATS7mAverage Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D1.016
PaDELAATS8mAverage Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELAATS0vAverage Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D152.032
PaDELAATS1vAverage Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D199.695
PaDELAATS2vAverage Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D137.048
PaDELAATS3vAverage Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D102.543
PaDELAATS4vAverage Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D92.178
PaDELAATS5vAverage Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D75.49
PaDELAATS6vAverage Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D54.985
PaDELAATS7vAverage Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D31.084
PaDELAATS8vAverage Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELAATS0eAverage Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.269
PaDELAATS1eAverage Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.487
PaDELAATS2eAverage Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.287
PaDELAATS3eAverage Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.287
PaDELAATS4eAverage Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.307
PaDELAATS5eAverage Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.127
PaDELAATS6eAverage Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D6.833
PaDELAATS7eAverage Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D6.718
PaDELAATS8eAverage Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELAATS0pAverage Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D1.124
PaDELAATS1pAverage Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.515
PaDELAATS2pAverage Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.129
PaDELAATS3pAverage Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.887
PaDELAATS4pAverage Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D0.827
PaDELAATS5pAverage Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.747
PaDELAATS6pAverage Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.636
PaDELAATS7pAverage Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.445
PaDELAATS8pAverage Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELAATS0iAverage Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D168.336
PaDELAATS1iAverage Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D148.155
PaDELAATS2iAverage Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D158.889
PaDELAATS3iAverage Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D168.068
PaDELAATS4iAverage Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D170.074
PaDELAATS5iAverage Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D172.582
PaDELAATS6iAverage Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D175.833
PaDELAATS7iAverage Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D184.918
PaDELAATS8iAverage Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELAATS0sAverage Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D3.168
PaDELAATS1sAverage Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D2.429
PaDELAATS2sAverage Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D2.043
PaDELAATS3sAverage Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D2.116
PaDELAATS4sAverage Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D2.167
PaDELAATS5sAverage Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.788
PaDELAATS6sAverage Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.286
PaDELAATS7sAverage Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D1
PaDELAATS8sAverage Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELATSC0cCentered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.225
PaDELATSC1cCentered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.112
PaDELATSC2cCentered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0.002
PaDELATSC3cCentered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.009
PaDELATSC4cCentered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0.013
PaDELATSC5cCentered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.013
PaDELATSC6cCentered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.013
PaDELATSC7cCentered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.005
PaDELATSC8cCentered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0
PaDELATSC0mCentered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D638.628
PaDELATSC1mCentered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-66.441
PaDELATSC2mCentered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-124.529
PaDELATSC3mCentered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-43.168
PaDELATSC4mCentered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-163.796
PaDELATSC5mCentered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-113.135
PaDELATSC6mCentered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D57.829
PaDELATSC7mCentered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D133.928
PaDELATSC8mCentered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELATSC0vCentered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D965.984
PaDELATSC1vCentered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-78.012
PaDELATSC2vCentered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-326.111
PaDELATSC3vCentered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-81.135
PaDELATSC4vCentered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-152.012
PaDELATSC5vCentered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-89.525
PaDELATSC6vCentered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D43.135
PaDELATSC7vCentered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D200.669
PaDELATSC8vCentered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELATSC0eCentered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.082
PaDELATSC1eCentered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.089
PaDELATSC2eCentered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELATSC3eCentered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.154
PaDELATSC4eCentered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.307
PaDELATSC5eCentered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.172
PaDELATSC6eCentered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.1
PaDELATSC7eCentered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.08
PaDELATSC8eCentered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELATSC0pCentered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D4.253
PaDELATSC1pCentered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.25
PaDELATSC2pCentered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-1.758
PaDELATSC3pCentered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.469
PaDELATSC4pCentered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.362
PaDELATSC5pCentered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.1
PaDELATSC6pCentered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.04
PaDELATSC7pCentered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.773
PaDELATSC8pCentered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELATSC0iCentered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D23.456
PaDELATSC1iCentered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-1.219
PaDELATSC2iCentered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-10.072
PaDELATSC3iCentered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-2.806
PaDELATSC4iCentered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-1.538
PaDELATSC5iCentered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.085
PaDELATSC6iCentered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.013
PaDELATSC7iCentered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D4.005
PaDELATSC8iCentered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELATSC0sCentered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D24.146
PaDELATSC1sCentered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-3.867
PaDELATSC2sCentered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.804
PaDELATSC3sCentered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-1.852
PaDELATSC4sCentered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-4.656
PaDELATSC5sCentered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-3.677
PaDELATSC6sCentered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.192
PaDELATSC7sCentered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D1.592
PaDELATSC8sCentered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELAATSC0cAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.011
PaDELAATSC1cAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.006
PaDELAATSC2cAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC3cAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC4cAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC5cAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC6cAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC7cAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC8cAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0
PaDELAATSC0mAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D30.411
PaDELAATSC1mAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-3.322
PaDELAATSC2mAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-3.366
PaDELAATSC3mAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-0.899
PaDELAATSC4mAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-3.9
PaDELAATSC5mAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-3.428
PaDELAATSC6mAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D2.754
PaDELAATSC7mAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D14.881
PaDELAATSC8mAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELAATSC0vAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D45.999
PaDELAATSC1vAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-3.901
PaDELAATSC2vAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-8.814
PaDELAATSC3vAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-1.69
PaDELAATSC4vAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-3.619
PaDELAATSC5vAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-2.713
PaDELAATSC6vAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D2.054
PaDELAATSC7vAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D22.297
PaDELAATSC8vAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELAATSC0eAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.052
PaDELAATSC1eAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.004
PaDELAATSC2eAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELAATSC3eAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.003
PaDELAATSC4eAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.007
PaDELAATSC5eAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.005
PaDELAATSC6eAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.005
PaDELAATSC7eAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.009
PaDELAATSC8eAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELAATSC0pAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D0.203
PaDELAATSC1pAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.012
PaDELAATSC2pAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-0.048
PaDELAATSC3pAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.01
PaDELAATSC4pAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.009
PaDELAATSC5pAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.003
PaDELAATSC6pAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.002
PaDELAATSC7pAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.086
PaDELAATSC8pAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELAATSC0iAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D1.117
PaDELAATSC1iAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.061
PaDELAATSC2iAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-0.272
PaDELAATSC3iAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.058
PaDELAATSC4iAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.037
PaDELAATSC5iAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.003
PaDELAATSC6iAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.001
PaDELAATSC7iAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.445
PaDELAATSC8iAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELAATSC0sAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D1.15
PaDELAATSC1sAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.193
PaDELAATSC2sAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.022
PaDELAATSC3sAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.039
PaDELAATSC4sAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.111
PaDELAATSC5sAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.111
PaDELAATSC6sAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.057
PaDELAATSC7sAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D0.177
PaDELAATSC8sAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELMATS1cMoran autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.521
PaDELMATS2cMoran autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D-0.006
PaDELMATS3cMoran autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.017
PaDELMATS4cMoran autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D-0.028
PaDELMATS5cMoran autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.036
PaDELMATS6cMoran autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.059
PaDELMATS7cMoran autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.05
PaDELMATS8cMoran autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0
PaDELMATS1mMoran autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D-0.109
PaDELMATS2mMoran autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D-0.111
PaDELMATS3mMoran autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-0.03
PaDELMATS4mMoran autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D-0.128
PaDELMATS5mMoran autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.113
PaDELMATS6mMoran autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.091
PaDELMATS7mMoran autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D0.489
PaDELMATS8mMoran autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELMATS1vMoran autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-0.085
PaDELMATS2vMoran autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D-0.192
PaDELMATS3vMoran autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-0.037
PaDELMATS4vMoran autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D-0.079
PaDELMATS5vMoran autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D-0.059
PaDELMATS6vMoran autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.045
PaDELMATS7vMoran autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D0.485
PaDELMATS8vMoran autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELMATS1eMoran autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.087
PaDELMATS2eMoran autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELMATS3eMoran autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.062
PaDELMATS4eMoran autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.142
PaDELMATS5eMoran autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.101
PaDELMATS6eMoran autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.093
PaDELMATS7eMoran autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.174
PaDELMATS8eMoran autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELMATS1pMoran autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.062
PaDELMATS2pMoran autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D-0.235
PaDELMATS3pMoran autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.048
PaDELMATS4pMoran autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.043
PaDELMATS5pMoran autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D-0.015
PaDELMATS6pMoran autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.009
PaDELMATS7pMoran autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.424
PaDELMATS8pMoran autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELMATS1iMoran autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.055
PaDELMATS2iMoran autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D-0.244
PaDELMATS3iMoran autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.052
PaDELMATS4iMoran autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.033
PaDELMATS5iMoran autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D-0.002
PaDELMATS6iMoran autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.001
PaDELMATS7iMoran autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.398
PaDELMATS8iMoran autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELMATS1sMoran autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.168
PaDELMATS2sMoran autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D-0.019
PaDELMATS3sMoran autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D-0.034
PaDELMATS4sMoran autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.096
PaDELMATS5sMoran autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.097
PaDELMATS6sMoran autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.049
PaDELMATS7sMoran autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D0.154
PaDELMATS8sMoran autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELGATS1cGeary autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D1.442
PaDELGATS2cGeary autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0.741
PaDELGATS3cGeary autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D1.074
PaDELGATS4cGeary autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D1.397
PaDELGATS5cGeary autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D1.116
PaDELGATS6cGeary autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.319
PaDELGATS7cGeary autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0
PaDELGATS8cGeary autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0
PaDELGATS1mGeary autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D1.421
PaDELGATS2mGeary autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D1.185
PaDELGATS3mGeary autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1.015
PaDELGATS4mGeary autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D1.102
PaDELGATS5mGeary autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D0.952
PaDELGATS6mGeary autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D0.542
PaDELGATS7mGeary autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D0
PaDELGATS8mGeary autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D0
PaDELGATS1vGeary autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D1.576
PaDELGATS2vGeary autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D1.365
PaDELGATS3vGeary autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D0.961
PaDELGATS4vGeary autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D0.944
PaDELGATS5vGeary autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.855
PaDELGATS6vGeary autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D0.666
PaDELGATS7vGeary autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELGATS8vGeary autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D0
PaDELGATS1eGeary autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.044
PaDELGATS2eGeary autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.818
PaDELGATS3eGeary autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.268
PaDELGATS4eGeary autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.5
PaDELGATS5eGeary autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.02
PaDELGATS6eGeary autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.063
PaDELGATS7eGeary autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELGATS8eGeary autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELGATS1pGeary autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.629
PaDELGATS2pGeary autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.44
PaDELGATS3pGeary autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D0.965
PaDELGATS4pGeary autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D0.892
PaDELGATS5pGeary autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.793
PaDELGATS6pGeary autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D0.676
PaDELGATS7pGeary autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELGATS8pGeary autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D0
PaDELGATS1iGeary autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D1.633
PaDELGATS2iGeary autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D1.451
PaDELGATS3iGeary autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D0.973
PaDELGATS4iGeary autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D0.889
PaDELGATS5iGeary autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.777
PaDELGATS6iGeary autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D0.666
PaDELGATS7iGeary autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELGATS8iGeary autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D0
PaDELGATS1sGeary autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D1.138
PaDELGATS2sGeary autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.826
PaDELGATS3sGeary autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D1.234
PaDELGATS4sGeary autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.458
PaDELGATS5sGeary autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.023
PaDELGATS6sGeary autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D0.118
PaDELGATS7sGeary autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D0
PaDELGATS8sGeary autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0
PaDELSpAbs_DzZGraph energy from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D28.694
PaDELSpMax_DzZLeading eigenvalue from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D14.472
PaDELSpDiam_DzZSpectral diameter from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D22.144
PaDELSpAD_DzZSpectral absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D28.873
PaDELSpMAD_DzZSpectral mean absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D4.125
PaDELEE_DzZEstrada-like index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D14.472
PaDELSM1_DzZSpectral moment of order 1 from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.25
PaDELVE1_DzZCoefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.069
PaDELVE2_DzZAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.01
PaDELVE3_DzZLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D-1.875
PaDELVR1_DzZRandic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D24.603
PaDELVR2_DzZNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D3.515
PaDELVR3_DzZLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D2.242
PaDELSpAbs_DzmGraph energy from Barysz matrix / weighted by massBarysz Matrix descriptor2D28.697
PaDELSpMax_DzmLeading eigenvalue from Barysz matrix / weighted by massBarysz Matrix descriptor2D14.473
PaDELSpDiam_DzmSpectral diameter from Barysz matrix / weighted by massBarysz Matrix descriptor2D22.145
PaDELSpAD_DzmSpectral absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D28.875
PaDELSpMAD_DzmSpectral mean absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D4.125
PaDELEE_DzmEstrada-like index from Barysz matrix / weighted by massBarysz Matrix descriptor2D14.473
PaDELSM1_DzmSpectral moment of order 1 from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.249
PaDELVE1_DzmCoefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.069
PaDELVE2_DzmAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.01
PaDELVE3_DzmLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D-1.875
PaDELVR1_DzmRandic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D24.603
PaDELVR2_DzmNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D3.515
PaDELVR3_DzmLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D2.242
PaDELSpAbs_DzvGraph energy from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D31.423
PaDELSpMax_DzvLeading eigenvalue from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D15.512
PaDELSpDiam_DzvSpectral diameter from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D23.254
PaDELSpAD_DzvSpectral absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D31.138
PaDELSpMAD_DzvSpectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D4.448
PaDELEE_DzvEstrada-like index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D15.512
PaDELSM1_DzvSpectral moment of order 1 from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-0.399
PaDELVE1_DzvCoefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.04
PaDELVE2_DzvAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.006
PaDELVE3_DzvLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-2.258
PaDELVR1_DzvRandic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D24.202
PaDELVR2_DzvNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D3.457
PaDELVR3_DzvLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D2.231
PaDELSpAbs_DzeGraph energy from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D28.7
PaDELSpMax_DzeLeading eigenvalue from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D14.474
PaDELSpDiam_DzeSpectral diameter from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D22.146
PaDELSpAD_DzeSpectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D28.878
PaDELSpMAD_DzeSpectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D4.125
PaDELEE_DzeEstrada-like index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D14.474
PaDELSM1_DzeSpectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.248
PaDELVE1_DzeCoefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.069
PaDELVE2_DzeAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.01
PaDELVE3_DzeLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D-1.876
PaDELVR1_DzeRandic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D24.602
PaDELVR2_DzeNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D3.515
PaDELVR3_DzeLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D2.242
PaDELSpAbs_DzpGraph energy from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D34.43
PaDELSpMax_DzpLeading eigenvalue from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D16.674
PaDELSpDiam_DzpSpectral diameter from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D24.595
PaDELSpAD_DzpSpectral absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D33.657
PaDELSpMAD_DzpSpectral mean absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D4.808
PaDELEE_DzpEstrada-like index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D16.674
PaDELSM1_DzpSpectral moment of order 1 from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-1.082
PaDELVE1_DzpCoefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.019
PaDELVE2_DzpAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.003
PaDELVE3_DzpLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-2.789
PaDELVR1_DzpRandic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D24.825
PaDELVR2_DzpNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D3.546
PaDELVR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D2.248
PaDELSpAbs_DziGraph energy from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D29.009
PaDELSpMax_DziLeading eigenvalue from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D14.591
PaDELSpDiam_DziSpectral diameter from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D22.269
PaDELSpAD_DziSpectral absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D29.133
PaDELSpMAD_DziSpectral mean absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D4.162
PaDELEE_DziEstrada-like index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D14.591
PaDELSM1_DziSpectral moment of order 1 from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.173
PaDELVE1_DziCoefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.066
PaDELVE2_DziAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.009
PaDELVE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D-1.904
PaDELVR1_DziRandic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D24.549
PaDELVR2_DziNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D3.507
PaDELVR3_DziLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D2.24
PaDELSpAbs_DzsGraph energy from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D31.811
PaDELSpMax_DzsLeading eigenvalue from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D16.196
PaDELSpDiam_DzsSpectral diameter from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D25.573
PaDELSpAD_DzsSpectral absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D32.226
PaDELSpMAD_DzsSpectral mean absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D4.604
PaDELEE_DzsEstrada-like index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D16.196
PaDELSM1_DzsSpectral moment of order 1 from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.581
PaDELVE1_DzsCoefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.064
PaDELVE2_DzsAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.009
PaDELVE3_DzsLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D-1.929
PaDELVR1_DzsRandic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D23.334
PaDELVR2_DzsNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D3.333
PaDELVR3_DzsLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D2.205
PaDELnBaseNumber of basic groups. The list of basic groups is defined by this SMARTS [$([NH2]-[CX4])], [$([NH](-[CX4])-[CX4])], [$(N(-[CX4])(-[CX4])-[CX4])], [$([*;+;!$(*~[*;-])])], [$(N=C-N)], and [$(N-C=N)] originally presented in JOELibBasic Group Count descriptor2D0
PaDELBCUTw-1lnhigh lowest atom weighted BCUTSBCUT descriptor2D11.89
PaDELBCUTw-1hnlow highest atom weighted BCUTSBCUT descriptor2D15.995
PaDELBCUTc-1lnhigh lowest partial charge weighted BCUTSBCUT descriptor2D-0.392
PaDELBCUTc-1hnlow highest partial charge weighted BCUTSBCUT descriptor2D0.055
PaDELBCUTp-1lnhigh lowest polarizability weighted BCUTSBCUT descriptor2D4.739
PaDELBCUTp-1hnlow highest polarizability weighted BCUTSBCUT descriptor2D7.169
PaDELnBondsNumber of bondsPaDEL Bond Count descriptor2D6
PaDELnBonds2Total number of bonds (including bonds to hydrogens)PaDEL Bond Count descriptor2D20
PaDELnBondsSNumber of single bonds (including bonds with hydrogen)PaDEL Bond Count descriptor2D20
PaDELnBondsS2Total number of single bondsPaDEL Bond Count descriptor2D20
PaDELnBondsS3Total number of single bondsPaDEL Bond Count descriptor2D6
PaDELnBondsDNumber of double bondsPaDEL Bond Count descriptor2D0
PaDELnBondsD2Total number of double bondsPaDEL Bond Count descriptor2D0
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 descriptor2D0
PaDELbpolSum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens)BPol descriptor2D15.305
PaDELSpMax1_BhmLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D3.493
PaDELSpMax2_BhmLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D3.065
PaDELSpMax3_BhmLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D2.605
PaDELSpMax4_BhmLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D2.095
PaDELSpMax5_BhmLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D1.68
PaDELSpMax6_BhmLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D1.381
PaDELSpMax7_BhmLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D0.864
PaDELSpMax8_BhmLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.084
PaDELSpMin1_BhmSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D1.869
PaDELSpMin2_BhmSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D1.645
PaDELSpMin3_BhmSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D1.281
PaDELSpMin4_BhmSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D0.931
PaDELSpMin5_BhmSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D0.679
PaDELSpMin6_BhmSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D0.573
PaDELSpMin7_BhmSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D0.285
PaDELSpMin8_BhmSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.084
PaDELSpMax1_BhvLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.488
PaDELSpMax2_BhvLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.1
PaDELSpMax3_BhvLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.598
PaDELSpMax4_BhvLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.058
PaDELSpMax5_BhvLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.638
PaDELSpMax6_BhvLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.455
PaDELSpMax7_BhvLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.946
PaDELSpMax8_BhvLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.271
PaDELSpMin1_BhvSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.825
PaDELSpMin2_BhvSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.566
PaDELSpMin3_BhvSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.208
PaDELSpMin4_BhvSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.847
PaDELSpMin5_BhvSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.597
PaDELSpMin6_BhvSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.482
PaDELSpMin7_BhvSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.148
PaDELSpMin8_BhvSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.271
PaDELSpMax1_BheLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.633
PaDELSpMax2_BheLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.284
PaDELSpMax3_BheLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.871
PaDELSpMax4_BheLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.432
PaDELSpMax5_BheLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.11
PaDELSpMax6_BheLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.912
PaDELSpMax7_BheLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.497
PaDELSpMax8_BheLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.944
PaDELSpMin1_BheSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.631
PaDELSpMin2_BheSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.314
PaDELSpMin3_BheSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.87
PaDELSpMin4_BheSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.416
PaDELSpMin5_BheSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.074
PaDELSpMin6_BheSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.054
PaDELSpMin7_BheSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.451
PaDELSpMin8_BheSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.944
PaDELSpMax1_BhpLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.5
PaDELSpMax2_BhpLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.128
PaDELSpMax3_BhpLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.625
PaDELSpMax4_BhpLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.09
PaDELSpMax5_BhpLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.667
PaDELSpMax6_BhpLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.505
PaDELSpMax7_BhpLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.017
PaDELSpMax8_BhpLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.399
PaDELSpMin1_BhpSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.798
PaDELSpMin2_BhpSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.516
PaDELSpMin3_BhpSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.163
PaDELSpMin4_BhpSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.799
PaDELSpMin5_BhpSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.544
PaDELSpMin6_BhpSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.391
PaDELSpMin7_BhpSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.045
PaDELSpMin8_BhpSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.399
PaDELSpMax1_BhiLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.684
PaDELSpMax2_BhiLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.368
PaDELSpMax3_BhiLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.963
PaDELSpMax4_BhiLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.544
PaDELSpMax5_BhiLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.245
PaDELSpMax6_BhiLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.092
PaDELSpMax7_BhiLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.704
PaDELSpMax8_BhiLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.208
PaDELSpMin1_BhiSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.58
PaDELSpMin2_BhiSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.234
PaDELSpMin3_BhiSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.774
PaDELSpMin4_BhiSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.292
PaDELSpMin5_BhiSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.07
PaDELSpMin6_BhiSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.218
PaDELSpMin7_BhiSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.655
PaDELSpMin8_BhiSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.208
PaDELSpMax1_BhsLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D4.338
PaDELSpMax2_BhsLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.362
PaDELSpMax3_BhsLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.194
PaDELSpMax4_BhsLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.598
PaDELSpMax5_BhsLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.075
PaDELSpMax6_BhsLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.695
PaDELSpMax7_BhsLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.262
PaDELSpMax8_BhsLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.61
PaDELSpMin1_BhsSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.726
PaDELSpMin2_BhsSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.394
PaDELSpMin3_BhsSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.949
PaDELSpMin4_BhsSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.554
PaDELSpMin5_BhsSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.272
PaDELSpMin6_BhsSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.036
PaDELSpMin7_BhsSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.338
PaDELSpMin8_BhsSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.61
PaDELC1SP1Triply bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP1Triply bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP2Doubly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP2Doubly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC3SP2Doubly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP3Singly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D2
PaDELC2SP3Singly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D4
PaDELC3SP3Singly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D0
PaDELC4SP3Singly bound carbon bound to four other carbonsPaDEL Carbon Types descriptor2D0
PaDELSCH-3Simple chain, order 3ChiChain descriptor2D0
PaDELSCH-4Simple chain, order 4ChiChain descriptor2D0
PaDELSCH-5Simple chain, order 5ChiChain descriptor2D0
PaDELSCH-6Simple chain, order 6ChiChain descriptor2D0
PaDELSCH-7Simple chain, order 7ChiChain descriptor2D0
PaDELVCH-3Valence chain, order 3ChiChain descriptor2D0
PaDELVCH-4Valence chain, order 4ChiChain descriptor2D0
PaDELVCH-5Valence chain, order 5ChiChain descriptor2D0
PaDELVCH-6Valence chain, order 6ChiChain descriptor2D0
PaDELVCH-7Valence chain, order 7ChiChain descriptor2D0
PaDELSC-3Simple cluster, order 3ChiCluster descriptor2D0.289
PaDELSC-4Simple cluster, order 4ChiCluster descriptor2D0
PaDELSC-5Simple cluster, order 5ChiCluster descriptor2D0
PaDELSC-6Simple cluster, order 6ChiCluster descriptor2D0
PaDELVC-3Valence cluster, order 3ChiCluster descriptor2D0.129
PaDELVC-4Valence cluster, order 4ChiCluster descriptor2D0
PaDELVC-5Valence cluster, order 5ChiCluster descriptor2D0
PaDELVC-6Valence cluster, order 6ChiCluster descriptor2D0
PaDELSPC-4Simple path cluster, order 4ChiPathCluster descriptor2D0.493
PaDELSPC-5Simple path cluster, order 5ChiPathCluster descriptor2D0.408
PaDELSPC-6Simple path cluster, order 6ChiPathCluster descriptor2D0.204
PaDELVPC-4Valence path cluster, order 4ChiPathCluster descriptor2D0.22
PaDELVPC-5Valence path cluster, order 5ChiPathCluster descriptor2D0.183
PaDELVPC-6Valence path cluster, order 6ChiPathCluster descriptor2D0.091
PaDELSP-0Simple path, order 0PaDEL ChiPath descriptor2D5.699
PaDELSP-1Simple path, order 1PaDEL ChiPath descriptor2D3.308
PaDELSP-2Simple path, order 2PaDEL ChiPath descriptor2D2.302
PaDELSP-3Simple path, order 3PaDEL ChiPath descriptor2D1.478
PaDELSP-4Simple path, order 4PaDEL ChiPath descriptor2D0.697
PaDELSP-5Simple path, order 5PaDEL ChiPath descriptor2D0.204
PaDELSP-6Simple path, order 6PaDEL ChiPath descriptor2D0
PaDELSP-7Simple path, order 7PaDEL ChiPath descriptor2D0
PaDELASP-0Average simple path, order 0PaDEL ChiPath descriptor2D0.814
PaDELASP-1Average simple path, order 1PaDEL ChiPath descriptor2D0.551
PaDELASP-2Average simple path, order 2PaDEL ChiPath descriptor2D0.384
PaDELASP-3Average simple path, order 3PaDEL ChiPath descriptor2D0.296
PaDELASP-4Average simple path, order 4PaDEL ChiPath descriptor2D0.232
PaDELASP-5Average simple path, order 5PaDEL ChiPath descriptor2D0.204
PaDELASP-6Average simple path, order 6PaDEL ChiPath descriptor2D0
PaDELASP-7Average simple path, order 7PaDEL ChiPath descriptor2D0
PaDELVP-0Valence path, order 0PaDEL ChiPath descriptor2D5.146
PaDELVP-1Valence path, order 1PaDEL ChiPath descriptor2D2.989
PaDELVP-2Valence path, order 2PaDEL ChiPath descriptor2D1.851
PaDELVP-3Valence path, order 3PaDEL ChiPath descriptor2D1.093
PaDELVP-4Valence path, order 4PaDEL ChiPath descriptor2D0.537
PaDELVP-5Valence path, order 5PaDEL ChiPath descriptor2D0.204
PaDELVP-6Valence path, order 6PaDEL ChiPath descriptor2D0
PaDELVP-7Valence path, order 7PaDEL ChiPath descriptor2D0
PaDELAVP-0Average valence path, order 0PaDEL ChiPath descriptor2D0.735
PaDELAVP-1Average valence path, order 1PaDEL ChiPath descriptor2D0.498
PaDELAVP-2Average valence path, order 2PaDEL ChiPath descriptor2D0.308
PaDELAVP-3Average valence path, order 3PaDEL ChiPath descriptor2D0.219
PaDELAVP-4Average valence path, order 4PaDEL ChiPath descriptor2D0.179
PaDELAVP-5Average valence path, order 5PaDEL ChiPath descriptor2D0.204
PaDELAVP-6Average valence path, order 6PaDEL ChiPath descriptor2D0
PaDELAVP-7Average valence path, order 7PaDEL ChiPath descriptor2D0
PaDELSvSum of atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D10.508
PaDELSseSum of atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D20.546
PaDELSpeSum of atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D19.427
PaDELSareSum of atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D19.72
PaDELSpSum of atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D12.07
PaDELSiSum of first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D162.61
PaDELMvMean atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D0.5
PaDELMseMean atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D0.978
PaDELMpeMean atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D0.925
PaDELMareMean atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D0.939
PaDELMpMean atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D0.575
PaDELMiMean first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D7.743
PaDELCrippenLogPCrippen's LogPCrippen descriptor2D1.557
PaDELCrippenMRCrippen's molar refractivityCrippen descriptor2D31.206
PaDELSpMax_DtLeading eigenvalue from detour matrixDetour Matrix descriptor2D14.864
PaDELSpDiam_DtSpectral diameter from detour matrixDetour Matrix descriptor2D22.556
PaDELSpAD_DtSpectral absolute deviation from detour matrixDetour Matrix descriptor2D29.727
PaDELSpMAD_DtSpectral mean absolute deviation from detour matrixDetour Matrix descriptor2D4.247
PaDELEE_DtEstrada-like index from detour matrixDetour Matrix descriptor2D14.864
PaDELVE1_DtCoefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.059
PaDELVE2_DtAverage coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.008
PaDELVE3_DtLogarithmic coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D-1.981
PaDELVR1_DtRandic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D24.428
PaDELVR2_DtNormalized Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D3.49
PaDELVR3_DtLogarithmic Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D2.237
PaDELECCENA topological descriptor combining distance and adjacency informationEccentric Connectivity Index descriptor2D45
PaDELnHBdCount of E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D1
PaDELnwHBdCount of E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnHBaCount of E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D1
PaDELnwHBaCount of E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D0
PaDELnHBint2Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELnHBint3Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELnHBint4Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELnHBint5Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELnHBint6Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELnHBint7Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELnHBint8Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELnHBint9Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELnHBint10Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELnHsOHCount of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D1
PaDELnHdNHCount of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnHsSHCount of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELnHsNH2Count of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnHssNHCount of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnHaaNHCount of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELnHsNH3pCount of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnHssNH2pCount of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELnHsssNHpCount of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELnHtCHCount of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELnHdCH2Count of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnHdsCHCount of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0
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 descriptor2D6
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 descriptor2D0
PaDELnHmiscCount of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELnsLiCount of atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELnssBeCount of atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELnssssBemCount of atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELnsBH2Count of atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELnssBHCount of atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELnsssBCount of atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELnssssBmCount of atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELnsCH3Count of atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D2
PaDELndCH2Count of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnssCH2Count of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D3
PaDELntCHCount of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELndsCHCount of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D0
PaDELnaaCHCount of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELnsssCHCount of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D1
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 descriptor2D0
PaDELnaasCCount of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELnaaaCCount of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELnssssCCount of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELnsNH3pCount of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnsNH2Count of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnssNH2pCount of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELndNHCount of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnssNHCount of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnaaNHCount of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELntNCount of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELnsssNHpCount of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELndsNCount of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELnaaNCount of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELnsssNCount of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELnddsNCount of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELnaasNCount of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELnssssNpCount of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELnsOHCount of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D1
PaDELndOCount of atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELnssOCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELnaaOCount of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELnaOmCount of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELnsOmCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELnsFCount of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELnsSiH3Count of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELnssSiH2Count of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSiHCount of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSiCount of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELnsPH2Count of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELnssPHCount of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELnsssPCount of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELndsssPCount of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELnddsPCount of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELnsssssPCount of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELnsSHCount of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELndSCount of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELnssSCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnaaSCount of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELndssSCount of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELnddssSCount of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELnssssssSCount of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELnSmCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnsClCount of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELnsGeH3Count of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELnssGeH2Count of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssGeHCount of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELnssssGeCount of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELnsAsH2Count of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELnssAsHCount of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELnsssAsCount of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELndsssAsCount of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELnddsAsCount of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELnsssssAsCount of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELnsSeHCount of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELndSeCount of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELnssSeCount of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELnaaSeCount of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELndssSeCount of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELnssssssSeCount of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELnddssSeCount of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELnsBrCount of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELnsSnH3Count of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELnssSnH2Count of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSnHCount of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSnCount of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELnsICount of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELnsPbH3Count of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELnssPbH2Count of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssPbHCount of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELnssssPbCount of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELSHBdSum of E-States for (strong) hydrogen bond donorsElectrotopological State Atom Type descriptor2D0.563
PaDELSwHBdSum of E-States for weak hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSHBaSum of E-States for (strong) hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D8.858
PaDELSwHBaSum of E-States for weak hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D0
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 descriptor2D0.563
PaDELSHdNHSum of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSHsSHSum of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSHsNH2Sum of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSHssNHSum of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSHaaNHSum of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELSHsNH3pSum of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSHssNH2pSum of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSHsssNHpSum of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSHtCHSum of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSHdCH2Sum of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSHdsCHSum of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0
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 descriptor2D1.837
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 descriptor2D0
PaDELSHmiscSum of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELSsLiSum of atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELSssBeSum of atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELSssssBemSum of atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELSsBH2Sum of atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELSssBHSum of atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELSsssBSum of atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELSssssBmSum of atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELSsCH3Sum of atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D4.083
PaDELSdCH2Sum of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSssCH2Sum of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D2.944
PaDELStCHSum of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSdsCHSum of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D0
PaDELSaaCHSum of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELSsssCHSum of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D-0.051
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
PaDELSaasCSum of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELSaaaCSum of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELSssssCSum of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELSsNH3pSum of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSsNH2Sum of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSssNH2pSum of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSdNHSum of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSssNHSum of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSaaNHSum of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELStNSum of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELSsssNHpSum of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSdsNSum of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELSaaNSum of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELSsssNSum of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELSddsNSum of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELSaasNSum of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELSssssNpSum of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELSsOHSum of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D8.858
PaDELSdOSum of atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELSssOSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELSaaOSum of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELSaOmSum of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELSsOmSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELSsFSum of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELSsSiH3Sum of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELSssSiH2Sum of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSiHSum of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSiSum of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELSsPH2Sum of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELSssPHSum of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELSsssPSum of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELSdsssPSum of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELSddsPSum of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELSsssssPSum of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELSsSHSum of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSdSSum of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELSssSSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSaaSSum of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELSdssSSum of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELSddssSSum of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELSssssssSSum of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELSSmSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSsClSum of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELSsGeH3Sum of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELSssGeH2Sum of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssGeHSum of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELSssssGeSum of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELSsAsH2Sum of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELSssAsHSum of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELSsssAsSum of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELSdsssAsSum of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELSddsAsSum of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELSsssssAsSum of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELSsSeHSum of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELSdSeSum of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELSssSeSum of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELSaaSeSum of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELSdssSeSum of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELSssssssSeSum of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELSddssSeSum of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELSsBrSum of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELSsSnH3Sum of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELSssSnH2Sum of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSnHSum of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSnSum of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELSsISum of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELSsPbH3Sum of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELSssPbH2Sum of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssPbHSum of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELSssssPbSum of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELminHBdMinimum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0.563
PaDELminwHBdMinimum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminHBaMinimum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D8.858
PaDELminwHBaMinimum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D0
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 descriptor2D0.563
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
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 descriptor2D0.24
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
PaDELminHmiscMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELminsLiMinimum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELminssBeMinimum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELminssssBemMinimum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELminsBH2Minimum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELminssBHMinimum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELminsssBMinimum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELminssssBmMinimum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELminsCH3Minimum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D2
PaDELmindCH2Minimum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminssCH2Minimum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.897
PaDELmintCHMinimum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmindsCHMinimum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D0
PaDELminaaCHMinimum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminsssCHMinimum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D-0.051
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 descriptor2D0
PaDELminaasCMinimum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELminaaaCMinimum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELminssssCMinimum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELminsNH3pMinimum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminsNH2Minimum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminssNH2pMinimum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmindNHMinimum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminssNHMinimum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminaaNHMinimum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmintNMinimum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELminsssNHpMinimum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmindsNMinimum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELminaaNMinimum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELminsssNMinimum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELminddsNMinimum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELminaasNMinimum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELminssssNpMinimum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELminsOHMinimum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D8.858
PaDELmindOMinimum atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELminssOMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELminaaOMinimum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELminaOmMinimum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELminsOmMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELminsFMinimum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELminsSiH3Minimum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELminssSiH2Minimum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSiHMinimum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSiMinimum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELminsPH2Minimum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELminssPHMinimum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELminsssPMinimum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmindsssPMinimum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELminddsPMinimum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELminsssssPMinimum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELminsSHMinimum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmindSMinimum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELminssSMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminaaSMinimum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmindssSMinimum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELminddssSMinimum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELminssssssSMinimum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELminSmMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminsClMinimum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELminsGeH3Minimum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELminssGeH2Minimum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssGeHMinimum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELminssssGeMinimum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELminsAsH2Minimum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELminssAsHMinimum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELminsssAsMinimum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmindsssAsMinimum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELminddsAsMinimum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELminsssssAsMinimum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELminsSeHMinimum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmindSeMinimum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELminssSeMinimum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELminaaSeMinimum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmindssSeMinimum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELminssssssSeMinimum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELminddssSeMinimum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELminsBrMinimum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELminsSnH3Minimum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELminssSnH2Minimum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSnHMinimum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSnMinimum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELminsIMinimum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELminsPbH3Minimum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELminssPbH2Minimum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssPbHMinimum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELminssssPbMinimum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELmaxHBdMaximum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0.563
PaDELmaxwHBdMaximum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxHBaMaximum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D8.858
PaDELmaxwHBaMaximum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D0
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 descriptor2D0.563
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
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 descriptor2D0.45
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
PaDELmaxHmiscMaximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELmaxsLiMaximum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELmaxssBeMaximum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBemMaximum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELmaxsBH2Maximum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssBHMaximum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssBMaximum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBmMaximum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELmaxsCH3Maximum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D2.082
PaDELmaxdCH2Maximum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssCH2Maximum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D1.092
PaDELmaxtCHMaximum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxdsCHMaximum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaCHMaximum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssCHMaximum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELmaxddCMaximum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmaxtsCMaximum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmaxdssCMaximum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasCMaximum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaaCMaximum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELmaxssssCMaximum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH3pMaximum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH2Maximum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssNH2pMaximum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdNHMaximum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxssNHMaximum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNHMaximum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxtNMaximum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELmaxsssNHpMaximum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdsNMaximum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNMaximum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssNMaximum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELmaxddsNMaximum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasNMaximum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssNpMaximum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELmaxsOHMaximum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D8.858
PaDELmaxdOMaximum atom-type E-State: =OElectrotopological State Atom Type descriptor2D0
PaDELmaxssOMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaOMaximum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELmaxaOmMaximum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELmaxsOmMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELmaxsFMaximum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELmaxsSiH3Maximum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssSiH2Maximum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssSiHMaximum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssSiMaximum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELmaxsPH2Maximum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssPHMaximum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssPMaximum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmaxdsssPMaximum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELmaxddsPMaximum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELmaxsssssPMaximum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELmaxsSHMaximum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmaxdSMaximum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELmaxssSMaximum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaSMaximum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmaxdssSMaximum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELmaxddssSMaximum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELmaxssssssSMaximum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELmaxSmMaximum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELmaxsClMaximum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELmaxsGeH3Maximum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssGeH2Maximum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssGeHMaximum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssGeMaximum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELmaxsAsH2Maximum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssAsHMaximum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssAsMaximum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmaxdsssAsMaximum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELmaxddsAsMaximum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELmaxsssssAsMaximum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELmaxsSeHMaximum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmaxdSeMaximum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELmaxssSeMaximum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaSeMaximum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmaxdssSeMaximum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELmaxssssssSeMaximum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELmaxddssSeMaximum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELmaxsBrMaximum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELmaxsSnH3Maximum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssSnH2Maximum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssSnHMaximum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssSnMaximum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELmaxsIMaximum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELmaxsPbH3Maximum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELmaxssPbH2Maximum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssPbHMaximum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssPbMaximum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELsumISum of the intrinsic state values IElectrotopological State Atom Type descriptor2D15.833
PaDELmeanIMean intrinsic state values IElectrotopological State Atom Type descriptor2D2.262
PaDELhmaxMaximum H E-StateElectrotopological State Atom Type descriptor2D0.563
PaDELgmaxMaximum E-StateElectrotopological State Atom Type descriptor2D8.858
PaDELhminMinimum H E-StateElectrotopological State Atom Type descriptor2D0.24
PaDELgminMinimum E-StateElectrotopological State Atom Type descriptor2D-0.051
PaDELLipoaffinityIndexLipoaffinity indexElectrotopological State Atom Type descriptor2D3.161
PaDELMAXDNMaximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D1.384
PaDELMAXDPMaximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D2.858
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 descriptor2D5.881
PaDELMAXDN2Maximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D1.384
PaDELMAXDP2Maximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D2.858
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 descriptor2D5.881
PaDELETA_AlphaSum of alpha values of all non-hydrogen vertices of a moleculeExtended Topochemical Atom descriptor2D3.333
PaDELETA_AlphaPSum of alpha values of all non-hydrogen vertices of a molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.476
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 descriptor2D0.024
PaDELETA_Epsilon_1A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.47
PaDELETA_Epsilon_2A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.81
PaDELETA_Epsilon_3A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.422
PaDELETA_Epsilon_4A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.47
PaDELETA_Epsilon_5A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.746
PaDELETA_dEpsilon_AA measure of contribution of unsaturation and electronegative atom countExtended Topochemical Atom descriptor2D0.048
PaDELETA_dEpsilon_BA measure of contribution of unsaturationExtended Topochemical Atom descriptor2D0
PaDELETA_dEpsilon_CA measure of contribution of electronegativityExtended Topochemical Atom descriptor2D-0.048
PaDELETA_dEpsilon_DA measure of contribution of hydrogen bond donor atomsExtended Topochemical Atom descriptor2D0.064
PaDELETA_Psi_1A measure of hydrogen bonding propensity of the molecules and/or polar surface areaExtended Topochemical Atom descriptor2D0.588
PaDELETA_dPsi_AA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0.126
PaDELETA_dPsi_BA measure of hydrogen bonding propensity of the moleculesExtended Topochemical Atom descriptor2D0
PaDELETA_Shape_PShape index PExtended Topochemical Atom descriptor2D0.4
PaDELETA_Shape_YShape index YExtended Topochemical Atom descriptor2D0.15
PaDELETA_Shape_XShape index XExtended Topochemical Atom descriptor2D0
PaDELETA_BetaA measure of electronic features of the moleculeExtended Topochemical Atom descriptor2D3.25
PaDELETA_BetaPA measure of electronic features of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.464
PaDELETA_Beta_sA measure of electronegative atom count of the moleculeExtended Topochemical Atom descriptor2D3.25
PaDELETA_BetaP_sA measure of electronegative atom count of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.464
PaDELETA_Beta_nsA measure of electron-richness of the moleculeExtended Topochemical Atom descriptor2D0
PaDELETA_BetaP_nsA measure of electron-richness of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0
PaDELETA_dBetaA measure of relative unsaturation contentExtended Topochemical Atom descriptor2D-3.25
PaDELETA_dBetaPA measure of relative unsaturation content relative to molecular sizeExtended Topochemical Atom descriptor2D-0.464
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 descriptor2D6.238
PaDELETA_EtaPComposite index Eta relative to molecular sizeExtended Topochemical Atom descriptor2D0.891
PaDELETA_Eta_RComposite index Eta for reference alkaneExtended Topochemical Atom descriptor2D7.079
PaDELETA_Eta_FFunctionality index EtaFExtended Topochemical Atom descriptor2D0.841
PaDELETA_EtaP_FFunctionality index EtaF relative to molecular sizeExtended Topochemical Atom descriptor2D0.12
PaDELETA_Eta_LLocal index Eta_localExtended Topochemical Atom descriptor2D3.026
PaDELETA_EtaP_LLocal index Eta_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.432
PaDELETA_Eta_R_LLocal index Eta_local for reference alkaneExtended Topochemical Atom descriptor2D3.308
PaDELETA_Eta_F_LLocal functionality contribution EtaF_localExtended Topochemical Atom descriptor2D0.282
PaDELETA_EtaP_F_LLocal functionality contribution EtaF_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.04
PaDELETA_Eta_BBranching index EtaBExtended Topochemical Atom descriptor2D0.106
PaDELETA_EtaP_BBranching index EtaB relative to molecular sizeExtended Topochemical Atom descriptor2D0.015
PaDELETA_Eta_B_RCBranching index EtaB (with ring correction)Extended Topochemical Atom descriptor2D0.106
PaDELETA_EtaP_B_RCBranching index EtaB (with ring correction) relative to molecular sizeExtended Topochemical Atom descriptor2D0.015
PaDELFMFComplexity of a moleculeFMF descriptor2D0
PaDELfragCComplexity of a systemPaDEL Fragment Complexity descriptor2D6.01
PaDELnHBAccNumber of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)PaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc2Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc3Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBAcc_LipinskiNumber of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D1
PaDELnHBDonNumber of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)PaDEL HBond Donor Count descriptor2D1
PaDELnHBDon_LipinskiNumber of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor)PaDEL HBond Donor Count descriptor2D1
PaDELHybRatioFraction of sp3 carbons to sp2 carbonsHybridization Ratio descriptor2D1
PaDELIC0Information content index (neighborhood symmetry of 0-order)Information Content descriptor2D1.116
PaDELIC1Information content index (neighborhood symmetry of 1-order)Information Content descriptor2D1.78
PaDELIC2Information content index (neighborhood symmetry of 2-order)Information Content descriptor2D2.82
PaDELIC3Information content index (neighborhood symmetry of 3-order)Information Content descriptor2D3.273
PaDELIC4Information content index (neighborhood symmetry of 4-order)Information Content descriptor2D3.232
PaDELIC5Information content index (neighborhood symmetry of 5-order)Information Content descriptor2D2.778
PaDELTIC0Total information content index (neighborhood symmetry of 0-order)Information Content descriptor2D23.426
PaDELTIC1Total information content index (neighborhood symmetry of 1-order)Information Content descriptor2D37.378
PaDELTIC2Total information content index (neighborhood symmetry of 2-order)Information Content descriptor2D59.219
PaDELTIC3Total information content index (neighborhood symmetry of 3-order)Information Content descriptor2D68.729
PaDELTIC4Total information content index (neighborhood symmetry of 4-order)Information Content descriptor2D67.874
PaDELTIC5Total information content index (neighborhood symmetry of 5-order)Information Content descriptor2D58.335
PaDELSIC0Structural information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.254
PaDELSIC1Structural information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.405
PaDELSIC2Structural information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.642
PaDELSIC3Structural information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.745
PaDELSIC4Structural information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.736
PaDELSIC5Structural information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.632
PaDELCIC0Complementary information content index (neighborhood symmetry of 0-order)Information Content descriptor2D3.277
PaDELCIC1Complementary information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.612
PaDELCIC2Complementary information content index (neighborhood symmetry of 2-order)Information Content descriptor2D1.572
PaDELCIC3Complementary information content index (neighborhood symmetry of 3-order)Information Content descriptor2D1.12
PaDELCIC4Complementary information content index (neighborhood symmetry of 4-order)Information Content descriptor2D1.16
PaDELCIC5Complementary information content index (neighborhood symmetry of 5-order)Information Content descriptor2D1.614
PaDELBIC0Bond information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.258
PaDELBIC1Bond information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.412
PaDELBIC2Bond information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.652
PaDELBIC3Bond information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.757
PaDELBIC4Bond information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.748
PaDELBIC5Bond information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.643
PaDELMIC0Modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D9.935
PaDELMIC1Modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D15.187
PaDELMIC2Modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D18.724
PaDELMIC3Modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D19.181
PaDELMIC4Modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D18.093
PaDELMIC5Modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D14.084
PaDELZMIC0Z-modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D25.723
PaDELZMIC1Z-modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D19.801
PaDELZMIC2Z-modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D17.185
PaDELZMIC3Z-modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D16.025
PaDELZMIC4Z-modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D17.316
PaDELZMIC5Z-modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D13.786
PaDELKier1First kappa shape indexKappaShape Indices descriptor2D7
PaDELKier2Second kappa shape indexKappaShape Indices descriptor2D4.167
PaDELKier3Third kappa (κ) shape indexKappaShape Indices descriptor2D3.84
PaDELnAtomLCNumber of atoms in the largest chainLargest Chain descriptor2D7
PaDELnAtomPNumber of atoms in the largest pi systemLargest Pi System descriptor2D0
PaDELnAtomLACNumber of atoms in the longest aliphatic chainLongest Aliphatic Chain descriptor2D6
PaDELMLogPMannhold LogPMannhold LogP descriptor2D2.01
PaDELMcGowan_VolumeMcGowan characteristic volumeMcGowan Volume descriptor2D1.013
PaDELMDEC-11Molecular distance edge between all primary carbonsMDE descriptor2D0.2
PaDELMDEC-12Molecular distance edge between all primary and secondary carbonsMDE descriptor2D2.804
PaDELMDEC-13Molecular distance edge between all primary and tertiary carbonsMDE descriptor2D0.816
PaDELMDEC-14Molecular distance edge between all primary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-22Molecular distance edge between all secondary carbonsMDE descriptor2D1.651
PaDELMDEC-23Molecular distance edge between all secondary and tertiary carbonsMDE descriptor2D2.381
PaDELMDEC-24Molecular distance edge between all secondary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-33Molecular distance edge between all tertiary carbonsMDE descriptor2D0
PaDELMDEC-34Molecular distance edge between all tertiary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-44Molecular distance edge between all quaternary carbonsMDE descriptor2D0
PaDELMDEO-11Molecular distance edge between all primary oxygensMDE descriptor2D0
PaDELMDEO-12Molecular distance edge between all primary and secondary oxygensMDE descriptor2D0
PaDELMDEO-22Molecular distance edge between all secondary oxygensMDE descriptor2D0
PaDELMDEN-11Molecular distance edge between all primary nitrogensMDE descriptor2D0
PaDELMDEN-12Molecular distance edge between all primary and secondary nitrogensMDE descriptor2D0
PaDELMDEN-13Molecular distance edge between all primary and tertiary niroqensMDE descriptor2D0
PaDELMDEN-22Molecular distance edge between all secondary nitroqensMDE descriptor2D0
PaDELMDEN-23Molecular distance edge between all secondary and tertiary nitrogensMDE descriptor2D0
PaDELMDEN-33Molecular distance edge between all tertiary nitrogensMDE descriptor2D0
PaDELMLFER_AOverall or summation solute hydrogen bond acidityMLFER descriptor2D0.348
PaDELMLFER_BHOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.403
PaDELMLFER_BOOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.395
PaDELMLFER_SCombined dipolarity/polarizabilityMLFER descriptor2D0.41
PaDELMLFER_EExcessive molar refractionMLFER descriptor2D0.19
PaDELMLFER_LSolute gas-hexadecane partition coefficientMLFER descriptor2D3.39
PaDELMPC2Molecular path count of order 2Path Count descriptor2D6
PaDELMPC3Molecular path count of order 3Path Count descriptor2D5
PaDELMPC4Molecular path count of order 4Path Count descriptor2D3
PaDELMPC5Molecular path count of order 5Path Count descriptor2D1
PaDELMPC6Molecular path count of order 6Path Count descriptor2D0
PaDELMPC7Molecular path count of order 7Path Count descriptor2D0
PaDELMPC8Molecular path count of order 8Path Count descriptor2D0
PaDELMPC9Molecular path count of order 9Path Count descriptor2D0
PaDELMPC10Molecular path count of order 10Path Count descriptor2D0
PaDELTPCTotal path count (up to order 10)Path Count descriptor2D28
PaDELpiPC1Conventional bond order ID number of order 1Path Count descriptor2D1.946
PaDELpiPC2Conventional bond order ID number of order 2Path Count descriptor2D1.946
PaDELpiPC3Conventional bond order ID number of order 3Path Count descriptor2D1.792
PaDELpiPC4Conventional bond order ID number of order 4Path Count descriptor2D1.386
PaDELpiPC5Conventional bond order ID number of order 5Path Count descriptor2D0.693
PaDELpiPC6Conventional bond order ID number of order 6Path Count descriptor2D0
PaDELpiPC7Conventional bond order ID number of order 7Path Count descriptor2D0
PaDELpiPC8Conventional bond order ID number of order 8Path Count descriptor2D0
PaDELpiPC9Conventional bond order ID number of order 9Path Count descriptor2D0
PaDELpiPC10Conventional bond order ID number of order 10Path Count descriptor2D0
PaDELTpiPCTotal conventional bond orderPath Count descriptor2D3.367
PaDELR_TpiPCTPCRatio of total conventional bond order (up to order 10) with total path count (up to order 10)Path Count descriptor2D1
PaDELPetitjeanNumberPetitjean numberPetitjean Number descriptor2D0.4
PaDELnRingNumber of ringsRing Count descriptor2D0
PaDELn3RingNumber of 3-membered ringsRing Count descriptor2D0
PaDELn4RingNumber of 4-membered ringsRing Count descriptor2D0
PaDELn5RingNumber of 5-membered ringsRing Count descriptor2D0
PaDELn6RingNumber of 6-membered ringsRing Count descriptor2D0
PaDELn7RingNumber of 7-membered ringsRing Count descriptor2D0
PaDELn8RingNumber of 8-membered ringsRing Count descriptor2D0
PaDELn9RingNumber of 9-membered ringsRing Count descriptor2D0
PaDELn10RingNumber of 10-membered ringsRing Count descriptor2D0
PaDELn11RingNumber of 11-membered ringsRing Count descriptor2D0
PaDELn12RingNumber of 12-membered ringsRing Count descriptor2D0
PaDELnG12RingNumber of >12-membered ringsRing Count descriptor2D0
PaDELnFRingNumber of fused ringsRing Count descriptor2D0
PaDELnF4RingNumber of 4-membered fused ringsRing Count descriptor2D0
PaDELnF5RingNumber of 5-membered fused ringsRing Count descriptor2D0
PaDELnF6RingNumber of 6-membered fused ringsRing Count descriptor2D0
PaDELnF7RingNumber of 7-membered fused ringsRing Count descriptor2D0
PaDELnF8RingNumber of 8-membered fused ringsRing Count descriptor2D0
PaDELnF9RingNumber of 9-membered fused ringsRing Count descriptor2D0
PaDELnF10RingNumber of 10-membered fused ringsRing Count descriptor2D0
PaDELnF11RingNumber of 11-membered fused ringsRing Count descriptor2D0
PaDELnF12RingNumber of 12-membered fused ringsRing Count descriptor2D0
PaDELnFG12RingNumber of >12-membered fused ringsRing Count descriptor2D0
PaDELnTRingNumber of rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT4RingNumber of 4-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT5RingNumber of 5-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT6RingNumber of 6-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT7RingNumber of 7-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT8RingNumber of 8-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT9RingNumber of 9-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT10RingNumber of 10-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT11RingNumber of 11-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT12RingNumber of 12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnTG12RingNumber of >12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnHeteroRingNumber of rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn3HeteroRingNumber of 3-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn4HeteroRingNumber of 4-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn5HeteroRingNumber of 5-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn6HeteroRingNumber of 6-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn7HeteroRingNumber of 7-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn8HeteroRingNumber of 8-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn9HeteroRingNumber of 9-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn10HeteroRingNumber of 10-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn11HeteroRingNumber of 11-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn12HeteroRingNumber of 12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnG12HeteroRingNumber of >12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFHeteroRingNumber of fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF4HeteroRingNumber of 4-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF5HeteroRingNumber of 5-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF6HeteroRingNumber of 6-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF7HeteroRingNumber of 7-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF8HeteroRingNumber of 8-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF9HeteroRingNumber of 9-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF10HeteroRingNumber of 10-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF11HeteroRingNumber of 11-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF12HeteroRingNumber of 12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFG12HeteroRingNumber of >12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTHeteroRingNumber of rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT4HeteroRingNumber of 4-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT5HeteroRingNumber of 5-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT6HeteroRingNumber of 6-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT7HeteroRingNumber of 7-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT8HeteroRingNumber of 8-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT9HeteroRingNumber of 9-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT10HeteroRingNumber of 10-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT11HeteroRingNumber of 11-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT12HeteroRingNumber of 12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTG12HeteroRingNumber of >12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnRotBNumber of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D3
PaDELRotBFracFraction of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.5
PaDELnRotBtNumber of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D6
PaDELRotBtFracFraction of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D1
PaDELLipinskiFailuresNumber failures of the Lipinski's Rule Of 5Rule Of Five descriptor2D0
PaDELtopoRadiusTopological radius (minimum atom eccentricity)Topological descriptor2D3
PaDELtopoDiameterTopological diameterTopological descriptor2D5
PaDELtopoShapePetitjean topological shape indexTopological descriptor2D0.667
PaDELGGI1Topological charge index of order 1Topological Charge descriptor2D1.5
PaDELGGI2Topological charge index of order 2Topological Charge descriptor2D0.667
PaDELGGI3Topological charge index of order 3Topological Charge descriptor2D0.25
PaDELGGI4Topological charge index of order 4Topological Charge descriptor2D0.08
PaDELGGI5Topological charge index of order 5Topological Charge descriptor2D0
PaDELGGI6Topological charge index of order 6Topological Charge descriptor2D0
PaDELGGI7Topological charge index of order 7Topological Charge descriptor2D0
PaDELGGI8Topological charge index of order 8Topological Charge descriptor2D0
PaDELGGI9Topological charge index of order 9Topological Charge descriptor2D0
PaDELGGI10Topological charge index of order 10Topological Charge descriptor2D0
PaDELJGI1Mean topological charge index of order 1Topological Charge descriptor2D0.25
PaDELJGI2Mean topological charge index of order 2Topological Charge descriptor2D0.111
PaDELJGI3Mean topological charge index of order 3Topological Charge descriptor2D0.05
PaDELJGI4Mean topological charge index of order 4Topological Charge descriptor2D0.027
PaDELJGI5Mean topological charge index of order 5Topological Charge descriptor2D0
PaDELJGI6Mean topological charge index of order 6Topological Charge descriptor2D0
PaDELJGI7Mean topological charge index of order 7Topological Charge descriptor2D0
PaDELJGI8Mean topological charge index of order 8Topological Charge descriptor2D0
PaDELJGI9Mean topological charge index of order 9Topological Charge descriptor2D0
PaDELJGI10Mean topological charge index of order 10Topological Charge descriptor2D0
PaDELJGTGlobal topological charge indexTopological Charge descriptor2D0.438
PaDELSpMax_DLeading eigenvalue from topological distance matrixTopological Distance Matrix descriptor2D14.864
PaDELSpDiam_DSpectral diameter from topological distance matrixTopological Distance Matrix descriptor2D22.556
PaDELSpAD_DSpectral absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D29.727
PaDELSpMAD_DSpectral mean absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D4.247
PaDELEE_DEstrada-like index from topological distance matrixTopological Distance Matrix descriptor2D14.864
PaDELVE1_DCoefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.059
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-1.981
PaDELVR1_DRandic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D24.428
PaDELVR2_DNormalized Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D3.49
PaDELVR3_DLogarithmic Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D2.237
PaDELTopoPSATopological polar surface areaTPSA descriptor2D20.23
PaDELVABCVan der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, Andreas M., Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds, The Journal of Organic Chemistry, 2003, 68:7368-7373]VABC descriptor2D121.123
PaDELVAdjMatVertex adjacency information (magnitude)VAdjMa descriptor2D3.807
PaDELMWC2Molecular walk count of order 2WalkCount descriptor2D3.219
PaDELMWC3Molecular walk count of order 3WalkCount descriptor2D3.85
PaDELMWC4Molecular walk count of order 4WalkCount descriptor2D4.533
PaDELMWC5Molecular walk count of order 5WalkCount descriptor2D5.187
PaDELMWC6Molecular walk count of order 6WalkCount descriptor2D5.878
PaDELMWC7Molecular walk count of order 7WalkCount descriptor2D6.538
PaDELMWC8Molecular walk count of order 8WalkCount descriptor2D7.231
PaDELMWC9Molecular walk count of order 9WalkCount descriptor2D7.892
PaDELMWC10Molecular walk count of order 10WalkCount descriptor2D8.585
PaDELTWCTotal walk count (up to order 10)WalkCount descriptor2D65.913
PaDELSRW2Self-returning walk count of order 2WalkCount descriptor2D2.565
PaDELSRW3Self-returning walk count of order 3WalkCount descriptor2D0
PaDELSRW4Self-returning walk count of order 4WalkCount descriptor2D3.611
PaDELSRW5Self-returning walk count of order 5WalkCount descriptor2D0
PaDELSRW6Self-returning walk count of order 6WalkCount descriptor2D4.844
PaDELSRW7Self-returning walk count of order 7WalkCount descriptor2D0
PaDELSRW8Self-returning walk count of order 8WalkCount descriptor2D6.151
PaDELSRW9Self-returning walk count of order 9WalkCount descriptor2D0
PaDELSRW10Self-returning walk count of order 10WalkCount descriptor2D7.486
PaDELTSRWTotal self-return walk countWalkCount descriptor2D7.796
PaDELMWMolecular weightPaDEL Weight descriptor2D102.104
PaDELAMWAverage molecular weight (Molecular weight / Total number of atoms)PaDEL Weight descriptor2D4.862
PaDELWTPT-1Molecular IDPaDEL Weighted Path descriptor2D12.665
PaDELWTPT-2Molecular ID / number of atomsPaDEL Weighted Path descriptor2D1.809
PaDELWTPT-3Sum of path lengths starting from heteroatomsPaDEL Weighted Path descriptor2D2.417
PaDELWTPT-4Sum of path lengths starting from oxygensPaDEL Weighted Path descriptor2D2.417
PaDELWTPT-5Sum of path lengths starting from nitrogensPaDEL Weighted Path descriptor2D0
PaDELWPATHWeiner path numberWiener Numbers descriptor2D50
PaDELWPOLWeiner polarity numberWiener Numbers descriptor2D5
PaDELXLogPXLogPXLogP descriptor2D1.669
PaDELZagrebSum of the squares of atom degree over all heavy atoms iZagreb Index descriptor2D24
PaDELTDB1u3D topological distance based autocorrelation - lag 1 / unweightedAuto correlation 3D descriptor3D1.214
PaDELTDB2u3D topological distance based autocorrelation - lag 2 / unweightedAuto correlation 3D descriptor3D2.111
PaDELTDB3u3D topological distance based autocorrelation - lag 3 / unweightedAuto correlation 3D descriptor3D2.878
PaDELTDB4u3D topological distance based autocorrelation - lag 4 / unweightedAuto correlation 3D descriptor3D3.617
PaDELTDB5u3D topological distance based autocorrelation - lag 5 / unweightedAuto correlation 3D descriptor3D4.58
PaDELTDB6u3D topological distance based autocorrelation - lag 6 / unweightedAuto correlation 3D descriptor3D5.668
PaDELTDB7u3D topological distance based autocorrelation - lag 7 / unweightedAuto correlation 3D descriptor3D6.045
PaDELTDB8u3D topological distance based autocorrelation - lag 8 / unweightedAuto correlation 3D descriptor3D0
PaDELTDB9u3D topological distance based autocorrelation - lag 9 / unweightedAuto correlation 3D descriptor3D0
PaDELTDB10u3D topological distance based autocorrelation - lag 10 / unweightedAuto correlation 3D descriptor3D0
PaDELTDB1m3D topological distance based autocorrelation - lag 1 / weighted by massAuto correlation 3D descriptor3D78.245
PaDELTDB2m3D topological distance based autocorrelation - lag 2 / weighted by massAuto correlation 3D descriptor3D80.76
PaDELTDB3m3D topological distance based autocorrelation - lag 3 / weighted by massAuto correlation 3D descriptor3D77.772
PaDELTDB4m3D topological distance based autocorrelation - lag 4 / weighted by massAuto correlation 3D descriptor3D78.275
PaDELTDB5m3D topological distance based autocorrelation - lag 5 / weighted by massAuto correlation 3D descriptor3D54.239
PaDELTDB6m3D topological distance based autocorrelation - lag 6 / weighted by massAuto correlation 3D descriptor3D24.06
PaDELTDB7m3D topological distance based autocorrelation - lag 7 / weighted by massAuto correlation 3D descriptor3D6.142
PaDELTDB8m3D topological distance based autocorrelation - lag 8 / weighted by massAuto correlation 3D descriptor3D0
PaDELTDB9m3D topological distance based autocorrelation - lag 9 / weighted by massAuto correlation 3D descriptor3D0
PaDELTDB10m3D topological distance based autocorrelation - lag 10 / weighted by massAuto correlation 3D descriptor3D0
PaDELTDB1v3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation 3D descriptor3D269.115
PaDELTDB2v3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation 3D descriptor3D313.836
PaDELTDB3v3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation 3D descriptor3D320.084
PaDELTDB4v3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation 3D descriptor3D370.194
PaDELTDB5v3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation 3D descriptor3D374.763
PaDELTDB6v3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation 3D descriptor3D314.226
PaDELTDB7v3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation 3D descriptor3D187.908
PaDELTDB8v3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation 3D descriptor3D0
PaDELTDB9v3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumesAuto correlation 3D descriptor3D0
PaDELTDB10v3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumesAuto correlation 3D descriptor3D0
PaDELTDB1e3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D9.127
PaDELTDB2e3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D15.479
PaDELTDB3e3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D21.067
PaDELTDB4e3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D26.607
PaDELTDB5e3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D32.79
PaDELTDB6e3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D38.742
PaDELTDB7e3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D40.615
PaDELTDB8e3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D0
PaDELTDB9e3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D0
PaDELTDB10e3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D0
PaDELTDB1p3D topological distance based autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation 3D descriptor3D1.98
PaDELTDB2p3D topological distance based autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.522
PaDELTDB3p3D topological distance based autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.691
PaDELTDB4p3D topological distance based autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.217
PaDELTDB5p3D topological distance based autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.626
PaDELTDB6p3D topological distance based autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.624
PaDELTDB7p3D topological distance based autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.688
PaDELTDB8p3D topological distance based autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation 3D descriptor3D0
PaDELTDB9p3D topological distance based autocorrelation - lag 9 / weighted by polarizabilitiesAuto correlation 3D descriptor3D0
PaDELTDB10p3D topological distance based autocorrelation - lag 10 / weighted by polarizabilitiesAuto correlation 3D descriptor3D0
PaDELTDB1i3D topological distance based autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation 3D descriptor3D177.44
PaDELTDB2i3D topological distance based autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation 3D descriptor3D331.477
PaDELTDB3i3D topological distance based autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation 3D descriptor3D479.816
PaDELTDB4i3D topological distance based autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation 3D descriptor3D607.73
PaDELTDB5i3D topological distance based autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation 3D descriptor3D782.176
PaDELTDB6i3D topological distance based autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation 3D descriptor3D995.74
PaDELTDB7i3D topological distance based autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation 3D descriptor3D1117.867
PaDELTDB8i3D topological distance based autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation 3D descriptor3D0
PaDELTDB9i3D topological distance based autocorrelation - lag 9 / weighted by first ionization potentialAuto correlation 3D descriptor3D0
PaDELTDB10i3D topological distance based autocorrelation - lag 10 / weighted by first ionization potentialAuto correlation 3D descriptor3D0
PaDELTDB1s3D topological distance based autocorrelation - lag 1 / weighted by I-stateAuto correlation 3D descriptor3D3.022
PaDELTDB2s3D topological distance based autocorrelation - lag 2 / weighted by I-stateAuto correlation 3D descriptor3D4.511
PaDELTDB3s3D topological distance based autocorrelation - lag 3 / weighted by I-stateAuto correlation 3D descriptor3D6.349
PaDELTDB4s3D topological distance based autocorrelation - lag 4 / weighted by I-stateAuto correlation 3D descriptor3D8.234
PaDELTDB5s3D topological distance based autocorrelation - lag 5 / weighted by I-stateAuto correlation 3D descriptor3D8.507
PaDELTDB6s3D topological distance based autocorrelation - lag 6 / weighted by I-stateAuto correlation 3D descriptor3D7.318
PaDELTDB7s3D topological distance based autocorrelation - lag 7 / weighted by I-stateAuto correlation 3D descriptor3D6.045
PaDELTDB8s3D topological distance based autocorrelation - lag 8 / weighted by I-stateAuto correlation 3D descriptor3D0
PaDELTDB9s3D topological distance based autocorrelation - lag 9 / weighted by I-stateAuto correlation 3D descriptor3D0
PaDELTDB10s3D topological distance based autocorrelation - lag 10 / weighted by I-stateAuto correlation 3D descriptor3D0
PaDELTDB1r3D topological distance based autocorrelation - lag 1 / weighted by covalent radiusAuto correlation 3D descriptor3D0.43
PaDELTDB2r3D topological distance based autocorrelation - lag 2 / weighted by covalent radiusAuto correlation 3D descriptor3D0.565
PaDELTDB3r3D topological distance based autocorrelation - lag 3 / weighted by covalent radiusAuto correlation 3D descriptor3D0.627
PaDELTDB4r3D topological distance based autocorrelation - lag 4 / weighted by covalent radiusAuto correlation 3D descriptor3D0.753
PaDELTDB5r3D topological distance based autocorrelation - lag 5 / weighted by covalent radiusAuto correlation 3D descriptor3D0.829
PaDELTDB6r3D topological distance based autocorrelation - lag 6 / weighted by covalent radiusAuto correlation 3D descriptor3D0.807
PaDELTDB7r3D topological distance based autocorrelation - lag 7 / weighted by covalent radiusAuto correlation 3D descriptor3D0.619
PaDELTDB8r3D topological distance based autocorrelation - lag 8 / weighted by covalent radiusAuto correlation 3D descriptor3D0
PaDELTDB9r3D topological distance based autocorrelation - lag 9 / weighted by covalent radiusAuto correlation 3D descriptor3D0
PaDELTDB10r3D topological distance based autocorrelation - lag 10 / weighted by covalent radiusAuto correlation 3D descriptor3D0
PaDELPPSA-1Partial positive surface area -- sum of surface area on positive parts of moleculeCPSA descriptor3D342.091
PaDELPPSA-2Partial positive surface area * total positive charge on the moleculeCPSA descriptor3D215.957
PaDELPPSA-3Charge weighted partial positive surface areaCPSA descriptor3D15.895
PaDELPNSA-1Partial negative surface area -- sum of surface area on negative parts of moleculeCPSA descriptor3D69.141
PaDELPNSA-2Partial negative surface area * total negative charge on the moleculeCPSA descriptor3D-43.648
PaDELPNSA-3Charge weighted partial negative surface areaCPSA descriptor3D-11.207
PaDELDPSA-1Difference of PPSA-1 and PNSA-1CPSA descriptor3D272.951
PaDELDPSA-2Difference of FPSA-2 and PNSA-2CPSA descriptor3D259.605
PaDELDPSA-3Difference of PPSA-3 and PNSA-3CPSA descriptor3D27.102
PaDELFPSA-1PPSA-1 / total molecular surface areaCPSA descriptor3D0.832
PaDELFPSA-2PPSA-2 / total molecular surface areaCPSA descriptor3D0.525
PaDELFPSA-3PPSA-3 / total molecular surface areaCPSA descriptor3D0.039
PaDELFNSA-1PNSA-1 / total molecular surface areaCPSA descriptor3D0.168
PaDELFNSA-2PNSA-2 / total molecular surface areaCPSA descriptor3D-0.106
PaDELFNSA-3PNSA-3 / total molecular surface areaCPSA descriptor3D-0.027
PaDELWPSA-1PPSA-1 * total molecular surface area / 1000CPSA descriptor3D140.679
PaDELWPSA-2PPSA-2 * total molecular surface area /1000CPSA descriptor3D88.809
PaDELWPSA-3PPSA-3 * total molecular surface area / 1000CPSA descriptor3D6.537
PaDELWNSA-1PNSA-1 * total molecular surface area /1000CPSA descriptor3D28.433
PaDELWNSA-2PNSA-2 * total molecular surface area / 1000CPSA descriptor3D-17.949
PaDELWNSA-3PNSA-3 * total molecular surface area / 1000CPSA descriptor3D-4.609
PaDELRPCGRelative positive charge -- most positive charge / total positive chargeCPSA descriptor3D0.333
PaDELRNCGRelative negative charge -- most negative charge / total negative chargeCPSA descriptor3D0.622
PaDELRPCSRelative positive charge surface area -- most positive surface area * RPCGCPSA descriptor3D12.105
PaDELRNCSRelative negative charge surface area -- most negative surface area * RNCGCPSA descriptor3D13.775
PaDELTHSASum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2CPSA descriptor3D352.707
PaDELTPSATopological polar surface areaMolecular property descriptor2D58.525
PaDELRHSATHSA / total molecular surface areaCPSA descriptor3D0.858
PaDELRPSATPSA / total molecular surface areaCPSA descriptor3D0.142
PaDELGRAV-1Gravitational index of heavy atomsGravitational Index descriptor3D402.434
PaDELGRAV-2Square root of gravitational index of heavy atomsGravitational Index descriptor3D20.061
PaDELGRAV-3Cube root of gravitational index of heavy atomsGravitational Index descriptor3D7.383
PaDELGRAVH-1Gravitational index - hydrogens includedGravitational Index descriptor3D549.318
PaDELGRAVH-2Square root of hydrogen-included gravitational indexGravitational Index descriptor3D23.438
PaDELGRAVH-3Cube root of hydrogen-included gravitational indexGravitational Index descriptor3D8.19
PaDELGRAV-4Gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D655.911
PaDELGRAV-5Square root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D25.611
PaDELGRAV-6Cube root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D8.689
PaDELLOBMAXThe maximum L/B ratioLength Over Breadth descriptor3D1.555
PaDELLOBMINThe L/B ratio for the rotation that results in the minimum areaLength Over Breadth descriptor3D1.398
PaDELMOMI-XMoment of inertia along X axisMoment Of Inertia descriptor3D466.941
PaDELMOMI-YMoment of inertia along Y axisMoment Of Inertia descriptor3D372.638
PaDELMOMI-ZMoment of inertia along Z axisMoment Of Inertia descriptor3D125.457
PaDELMOMI-XYX/YMoment Of Inertia descriptor3D1.253
PaDELMOMI-XZX/ZMoment Of Inertia descriptor3D3.722
PaDELMOMI-YZY/ZMoment Of Inertia descriptor3D2.97
PaDELMOMI-RRadius of gyrationMoment Of Inertia descriptor3D4.147
PaDELgeomRadiusGeometrical radius (minimum geometric eccentricity)PaDEL Petitjean Shape Index descriptor3D4.091
PaDELgeomDiameterGeometrical diameterPaDEL Petitjean Shape Index descriptor3D7.517
PaDELgeomShapePetitjean geometric shape indexPaDEL Petitjean Shape Index descriptor3D0.837
PaDELRDF10uRadial distribution function - 010 / unweightedRDF descriptor3D6.14
PaDELRDF15uRadial distribution function - 015 / unweightedRDF descriptor3D5.211
PaDELRDF20uRadial distribution function - 020 / unweightedRDF descriptor3D3.266
PaDELRDF25uRadial distribution function - 025 / unweightedRDF descriptor3D20.415
PaDELRDF30uRadial distribution function - 030 / unweightedRDF descriptor3D9.465
PaDELRDF35uRadial distribution function - 035 / unweightedRDF descriptor3D5.406
PaDELRDF40uRadial distribution function - 040 / unweightedRDF descriptor3D4.796
PaDELRDF45uRadial distribution function - 045 / unweightedRDF descriptor3D5.661
PaDELRDF50uRadial distribution function - 050 / unweightedRDF descriptor3D4.573
PaDELRDF55uRadial distribution function - 055 / unweightedRDF descriptor3D3.65
PaDELRDF60uRadial distribution function - 060 / unweightedRDF descriptor3D4.001
PaDELRDF65uRadial distribution function - 065 / unweightedRDF descriptor3D2.906
PaDELRDF70uRadial distribution function - 070 / unweightedRDF descriptor3D0.072
PaDELRDF75uRadial distribution function - 075 / unweightedRDF descriptor3D0.973
PaDELRDF80uRadial distribution function - 080 / unweightedRDF descriptor3D0
PaDELRDF85uRadial distribution function - 085 / unweightedRDF descriptor3D0
PaDELRDF90uRadial distribution function - 090 / unweightedRDF descriptor3D0
PaDELRDF95uRadial distribution function - 095 / unweightedRDF descriptor3D0
PaDELRDF100uRadial distribution function - 100 / unweightedRDF descriptor3D0
PaDELRDF105uRadial distribution function - 105 / unweightedRDF descriptor3D0
PaDELRDF110uRadial distribution function - 110 / unweightedRDF descriptor3D0
PaDELRDF115uRadial distribution function - 115 / unweightedRDF descriptor3D0
PaDELRDF120uRadial distribution function - 120 / unweightedRDF descriptor3D0
PaDELRDF125uRadial distribution function - 125 / unweightedRDF descriptor3D0
PaDELRDF130uRadial distribution function - 130 / unweightedRDF descriptor3D0
PaDELRDF135uRadial distribution function - 135 / unweightedRDF descriptor3D0
PaDELRDF140uRadial distribution function - 140 / unweightedRDF descriptor3D0
PaDELRDF145uRadial distribution function - 145 / unweightedRDF descriptor3D0
PaDELRDF150uRadial distribution function - 150 / unweightedRDF descriptor3D0
PaDELRDF155uRadial distribution function - 155 / unweightedRDF descriptor3D0
PaDELRDF10mRadial distribution function - 010 / weighted by relative massRDF descriptor3D0.541
PaDELRDF15mRadial distribution function - 015 / weighted by relative massRDF descriptor3D5.403
PaDELRDF20mRadial distribution function - 020 / weighted by relative massRDF descriptor3D0.293
PaDELRDF25mRadial distribution function - 025 / weighted by relative massRDF descriptor3D4.483
PaDELRDF30mRadial distribution function - 030 / weighted by relative massRDF descriptor3D0.754
PaDELRDF35mRadial distribution function - 035 / weighted by relative massRDF descriptor3D0.375
PaDELRDF40mRadial distribution function - 040 / weighted by relative massRDF descriptor3D1.033
PaDELRDF45mRadial distribution function - 045 / weighted by relative massRDF descriptor3D1.078
PaDELRDF50mRadial distribution function - 050 / weighted by relative massRDF descriptor3D0.734
PaDELRDF55mRadial distribution function - 055 / weighted by relative massRDF descriptor3D1.037
PaDELRDF60mRadial distribution function - 060 / weighted by relative massRDF descriptor3D0.18
PaDELRDF65mRadial distribution function - 065 / weighted by relative massRDF descriptor3D0.166
PaDELRDF70mRadial distribution function - 070 / weighted by relative massRDF descriptor3D0.001
PaDELRDF75mRadial distribution function - 075 / weighted by relative massRDF descriptor3D0.007
PaDELRDF80mRadial distribution function - 080 / weighted by relative massRDF descriptor3D0
PaDELRDF85mRadial distribution function - 085 / weighted by relative massRDF descriptor3D0
PaDELRDF90mRadial distribution function - 090 / weighted by relative massRDF descriptor3D0
PaDELRDF95mRadial distribution function - 095 / weighted by relative massRDF descriptor3D0
PaDELRDF100mRadial distribution function - 100 / weighted by relative massRDF descriptor3D0
PaDELRDF105mRadial distribution function - 105 / weighted by relative massRDF descriptor3D0
PaDELRDF110mRadial distribution function - 110 / weighted by relative massRDF descriptor3D0
PaDELRDF115mRadial distribution function - 115 / weighted by relative massRDF descriptor3D0
PaDELRDF120mRadial distribution function - 120 / weighted by relative massRDF descriptor3D0
PaDELRDF125mRadial distribution function - 125 / weighted by relative massRDF descriptor3D0
PaDELRDF130mRadial distribution function - 130 / weighted by relative massRDF descriptor3D0
PaDELRDF135mRadial distribution function - 135 / weighted by relative massRDF descriptor3D0
PaDELRDF140mRadial distribution function - 140 / weighted by relative massRDF descriptor3D0
PaDELRDF145mRadial distribution function - 145 / weighted by relative massRDF descriptor3D0
PaDELRDF150mRadial distribution function - 150 / weighted by relative massRDF descriptor3D0
PaDELRDF155mRadial distribution function - 155 / weighted by relative massRDF descriptor3D0
PaDELRDF10vRadial distribution function - 010 / weighted by relative van der Waals volumesRDF descriptor3D1.592
PaDELRDF15vRadial distribution function - 015 / weighted by relative van der Waals volumesRDF descriptor3D5.033
PaDELRDF20vRadial distribution function - 020 / weighted by relative van der Waals volumesRDF descriptor3D0.814
PaDELRDF25vRadial distribution function - 025 / weighted by relative van der Waals volumesRDF descriptor3D5.239
PaDELRDF30vRadial distribution function - 030 / weighted by relative van der Waals volumesRDF descriptor3D1.256
PaDELRDF35vRadial distribution function - 035 / weighted by relative van der Waals volumesRDF descriptor3D1.243
PaDELRDF40vRadial distribution function - 040 / weighted by relative van der Waals volumesRDF descriptor3D1.427
PaDELRDF45vRadial distribution function - 045 / weighted by relative van der Waals volumesRDF descriptor3D1.44
PaDELRDF50vRadial distribution function - 050 / weighted by relative van der Waals volumesRDF descriptor3D1.164
PaDELRDF55vRadial distribution function - 055 / weighted by relative van der Waals volumesRDF descriptor3D1.289
PaDELRDF60vRadial distribution function - 060 / weighted by relative van der Waals volumesRDF descriptor3D0.683
PaDELRDF65vRadial distribution function - 065 / weighted by relative van der Waals volumesRDF descriptor3D0.588
PaDELRDF70vRadial distribution function - 070 / weighted by relative van der Waals volumesRDF descriptor3D0.005
PaDELRDF75vRadial distribution function - 075 / weighted by relative van der Waals volumesRDF descriptor3D0.071
PaDELRDF80vRadial distribution function - 080 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF85vRadial distribution function - 085 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF90vRadial distribution function - 090 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF95vRadial distribution function - 095 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF100vRadial distribution function - 100 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF105vRadial distribution function - 105 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF110vRadial distribution function - 110 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF115vRadial distribution function - 115 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF120vRadial distribution function - 120 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF125vRadial distribution function - 125 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF130vRadial distribution function - 130 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF135vRadial distribution function - 135 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF140vRadial distribution function - 140 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF145vRadial distribution function - 145 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF150vRadial distribution function - 150 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF155vRadial distribution function - 155 / weighted by relative van der Waals volumesRDF descriptor3D0
PaDELRDF10eRadial distribution function - 010 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.085
PaDELRDF15eRadial distribution function - 015 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.409
PaDELRDF20eRadial distribution function - 020 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.332
PaDELRDF25eRadial distribution function - 025 / weighted by relative Sanderson electronegativitiesRDF descriptor3D19.393
PaDELRDF30eRadial distribution function - 030 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.622
PaDELRDF35eRadial distribution function - 035 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.086
PaDELRDF40eRadial distribution function - 040 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.636
PaDELRDF45eRadial distribution function - 045 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.754
PaDELRDF50eRadial distribution function - 050 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.517
PaDELRDF55eRadial distribution function - 055 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.391
PaDELRDF60eRadial distribution function - 060 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.669
PaDELRDF65eRadial distribution function - 065 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.689
PaDELRDF70eRadial distribution function - 070 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0.064
PaDELRDF75eRadial distribution function - 075 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0.867
PaDELRDF80eRadial distribution function - 080 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF85eRadial distribution function - 085 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF90eRadial distribution function - 090 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF95eRadial distribution function - 095 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF100eRadial distribution function - 100 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF105eRadial distribution function - 105 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF110eRadial distribution function - 110 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF115eRadial distribution function - 115 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF120eRadial distribution function - 120 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF125eRadial distribution function - 125 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF130eRadial distribution function - 130 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF135eRadial distribution function - 135 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF140eRadial distribution function - 140 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF145eRadial distribution function - 145 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF150eRadial distribution function - 150 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF155eRadial distribution function - 155 / weighted by relative Sanderson electronegativitiesRDF descriptor3D0
PaDELRDF10pRadial distribution function - 010 / weighted by relative polarizabilitiesRDF descriptor3D2.259
PaDELRDF15pRadial distribution function - 015 / weighted by relative polarizabilitiesRDF descriptor3D4.893
PaDELRDF20pRadial distribution function - 020 / weighted by relative polarizabilitiesRDF descriptor3D1.126
PaDELRDF25pRadial distribution function - 025 / weighted by relative polarizabilitiesRDF descriptor3D6.401
PaDELRDF30pRadial distribution function - 030 / weighted by relative polarizabilitiesRDF descriptor3D1.987
PaDELRDF35pRadial distribution function - 035 / weighted by relative polarizabilitiesRDF descriptor3D1.874
PaDELRDF40pRadial distribution function - 040 / weighted by relative polarizabilitiesRDF descriptor3D1.758
PaDELRDF45pRadial distribution function - 045 / weighted by relative polarizabilitiesRDF descriptor3D1.715
PaDELRDF50pRadial distribution function - 050 / weighted by relative polarizabilitiesRDF descriptor3D1.487
PaDELRDF55pRadial distribution function - 055 / weighted by relative polarizabilitiesRDF descriptor3D1.545
PaDELRDF60pRadial distribution function - 060 / weighted by relative polarizabilitiesRDF descriptor3D1.11
PaDELRDF65pRadial distribution function - 065 / weighted by relative polarizabilitiesRDF descriptor3D0.919
PaDELRDF70pRadial distribution function - 070 / weighted by relative polarizabilitiesRDF descriptor3D0.011
PaDELRDF75pRadial distribution function - 075 / weighted by relative polarizabilitiesRDF descriptor3D0.155
PaDELRDF80pRadial distribution function - 080 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF85pRadial distribution function - 085 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF90pRadial distribution function - 090 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF95pRadial distribution function - 095 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF100pRadial distribution function - 100 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF105pRadial distribution function - 105 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF110pRadial distribution function - 110 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF115pRadial distribution function - 115 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF120pRadial distribution function - 120 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF125pRadial distribution function - 125 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF130pRadial distribution function - 130 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF135pRadial distribution function - 135 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF140pRadial distribution function - 140 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF145pRadial distribution function - 145 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF150pRadial distribution function - 150 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF155pRadial distribution function - 155 / weighted by relative polarizabilitiesRDF descriptor3D0
PaDELRDF10iRadial distribution function - 010 / weighted by relative first ionization potentialRDF descriptor3D7.65
PaDELRDF15iRadial distribution function - 015 / weighted by relative first ionization potentialRDF descriptor3D5.34
PaDELRDF20iRadial distribution function - 020 / weighted by relative first ionization potentialRDF descriptor3D4.159
PaDELRDF25iRadial distribution function - 025 / weighted by relative first ionization potentialRDF descriptor3D27.93
PaDELRDF30iRadial distribution function - 030 / weighted by relative first ionization potentialRDF descriptor3D13.44
PaDELRDF35iRadial distribution function - 035 / weighted by relative first ionization potentialRDF descriptor3D6.83
PaDELRDF40iRadial distribution function - 040 / weighted by relative first ionization potentialRDF descriptor3D6.338
PaDELRDF45iRadial distribution function - 045 / weighted by relative first ionization potentialRDF descriptor3D7.822
PaDELRDF50iRadial distribution function - 050 / weighted by relative first ionization potentialRDF descriptor3D6.126
PaDELRDF55iRadial distribution function - 055 / weighted by relative first ionization potentialRDF descriptor3D4.725
PaDELRDF60iRadial distribution function - 060 / weighted by relative first ionization potentialRDF descriptor3D5.342
PaDELRDF65iRadial distribution function - 065 / weighted by relative first ionization potentialRDF descriptor3D3.761
PaDELRDF70iRadial distribution function - 070 / weighted by relative first ionization potentialRDF descriptor3D0.104
PaDELRDF75iRadial distribution function - 075 / weighted by relative first ionization potentialRDF descriptor3D1.419
PaDELRDF80iRadial distribution function - 080 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF85iRadial distribution function - 085 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF90iRadial distribution function - 090 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF95iRadial distribution function - 095 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF100iRadial distribution function - 100 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF105iRadial distribution function - 105 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF110iRadial distribution function - 110 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF115iRadial distribution function - 115 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF120iRadial distribution function - 120 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF125iRadial distribution function - 125 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF130iRadial distribution function - 130 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF135iRadial distribution function - 135 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF140iRadial distribution function - 140 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF145iRadial distribution function - 145 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF150iRadial distribution function - 150 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF155iRadial distribution function - 155 / weighted by relative first ionization potentialRDF descriptor3D0
PaDELRDF10sRadial distribution function - 010 / weighted by relative I-stateRDF descriptor3D5.415
PaDELRDF15sRadial distribution function - 015 / weighted by relative I-stateRDF descriptor3D6.015
PaDELRDF20sRadial distribution function - 020 / weighted by relative I-stateRDF descriptor3D3.187
PaDELRDF25sRadial distribution function - 025 / weighted by relative I-stateRDF descriptor3D14.23
PaDELRDF30sRadial distribution function - 030 / weighted by relative I-stateRDF descriptor3D4.676
PaDELRDF35sRadial distribution function - 035 / weighted by relative I-stateRDF descriptor3D3.101
PaDELRDF40sRadial distribution function - 040 / weighted by relative I-stateRDF descriptor3D3.682
PaDELRDF45sRadial distribution function - 045 / weighted by relative I-stateRDF descriptor3D5.887
PaDELRDF50sRadial distribution function - 050 / weighted by relative I-stateRDF descriptor3D4.182
PaDELRDF55sRadial distribution function - 055 / weighted by relative I-stateRDF descriptor3D2.594
PaDELRDF60sRadial distribution function - 060 / weighted by relative I-stateRDF descriptor3D2.037
PaDELRDF65sRadial distribution function - 065 / weighted by relative I-stateRDF descriptor3D1.789
PaDELRDF70sRadial distribution function - 070 / weighted by relative I-stateRDF descriptor3D0.027
PaDELRDF75sRadial distribution function - 075 / weighted by relative I-stateRDF descriptor3D0.362
PaDELRDF80sRadial distribution function - 080 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF85sRadial distribution function - 085 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF90sRadial distribution function - 090 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF95sRadial distribution function - 095 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF100sRadial distribution function - 100 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF105sRadial distribution function - 105 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF110sRadial distribution function - 110 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF115sRadial distribution function - 115 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF120sRadial distribution function - 120 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF125sRadial distribution function - 125 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF130sRadial distribution function - 130 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF135sRadial distribution function - 135 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF140sRadial distribution function - 140 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF145sRadial distribution function - 145 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF150sRadial distribution function - 150 / weighted by relative I-stateRDF descriptor3D0
PaDELRDF155sRadial distribution function - 155 / weighted by relative I-stateRDF descriptor3D0
PaDELL1u1st component size directional WHIM index / unweightedPaDEL WHIM descriptor3D4.721
PaDELL2u2nd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D1.332
PaDELL3u3rd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D0.532
PaDELP1u1st component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.717
PaDELP2u2nd component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.202
PaDELE1u1st component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.558
PaDELE2u2nd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.384
PaDELE3u3rd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.319
PaDELTuT total size index / unweightedPaDEL WHIM descriptor3D6.584
PaDELAuA total size index / unweightedPaDEL WHIM descriptor3D9.507
PaDELVuV total size index / unweightedPaDEL WHIM descriptor3D19.435
PaDELKuK global shape index / unweightedPaDEL WHIM descriptor3D0.575
PaDELDuD total accessibility index / unweightedPaDEL WHIM descriptor3D1.261
PaDELL1m1st component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D3.499
PaDELL2m2nd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D1.14
PaDELL3m3rd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.153
PaDELP1m1st component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.73
PaDELP2m2nd component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.238
PaDELE1m1st component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.307
PaDELE2m2nd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.282
PaDELE3m3rd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.026
PaDELTmT total size index / weighted by relative massPaDEL WHIM descriptor3D4.792
PaDELAmA total size index / weighted by relative massPaDEL WHIM descriptor3D4.698
PaDELVmV total size index / weighted by relative massPaDEL WHIM descriptor3D10.099
PaDELKmK global shape index / weighted by relative massPaDEL WHIM descriptor3D0.595
PaDELDmD total accessibility index / weighted by relative massPaDEL WHIM descriptor3D0.615
PaDELL1v1st component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D4.17
PaDELL2v2nd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.056
PaDELL3v3rd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.315
PaDELP1v1st component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.753
PaDELP2v2nd component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.191
PaDELE1v1st component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.435
PaDELE2v2nd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.24
PaDELE3v3rd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.111
PaDELTvT total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D5.541
PaDELAvA total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D6.049
PaDELVvV total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D12.976
PaDELKvK global shape index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.629
PaDELDvD total accessibility index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.786
PaDELL1e1st component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D4.621
PaDELL2e2nd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.37
PaDELL3e3rd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.515
PaDELP1e1st component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.71
PaDELP2e2nd component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.211
PaDELE1e1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.535
PaDELE2e2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.406
PaDELE3e3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.299
PaDELTeT total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D6.507
PaDELAeA total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D9.421
PaDELVeV total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D19.192
PaDELKeK global shape index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.565
PaDELDeD total accessibility index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.239
PaDELL1p1st component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D4.433
PaDELL2p2nd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.067
PaDELL3p3rd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.387
PaDELP1p1st component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.753
PaDELP2p2nd component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.181
PaDELE1p1st component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.492
PaDELE2p2nd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.245
PaDELE3p3rd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.169
PaDELTpT total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D5.886
PaDELApA total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D6.855
PaDELVpV total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D14.569
PaDELKpK global shape index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.63
PaDELDpD total accessibility index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.906
PaDELL1i1st component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D4.765
PaDELL2i2nd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.382
PaDELL3i3rd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.556
PaDELP1i1st component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.711
PaDELP2i2nd component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.206
PaDELE1i1st component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.568
PaDELE2i2nd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.413
PaDELE3i3rd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.349
PaDELTiT total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D6.703
PaDELAiA total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D10.002
PaDELViV total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D20.366
PaDELKiK global shape index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.566
PaDELDiD total accessibility index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.331
PaDELL1s1st component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D4.64
PaDELL2s2nd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D1.373
PaDELL3s3rd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.516
PaDELP1s1st component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.711
PaDELP2s2nd component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.21
PaDELE1s1st component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.539
PaDELE2s2nd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.407
PaDELE3s3rd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.3
PaDELTsT total size index / weighted by relative I-statePaDEL WHIM descriptor3D6.529
PaDELAsA total size index / weighted by relative I-statePaDEL WHIM descriptor3D9.476
PaDELVsV total size index / weighted by relative I-statePaDEL WHIM descriptor3D19.295
PaDELKsK global shape index / weighted by relative I-statePaDEL WHIM descriptor3D0.566
PaDELDsD total accessibility index / weighted by relative I-statePaDEL WHIM descriptor3D1.246
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.