Secondary metabolite:Prenyl benzoate



Chemical descriptors


ToolDescriptorDescriptionDescriptor classTypeResult
PaDELnAcidNumber of acidic groups. The list of acidic groups is defined by these SMARTS $([O;H1]-[C,S,P]=O), $([*;-;!$(*~[*;+])]), $([NH](S(=O)=O)C(F)(F)F), and $(n1nnnc1) originally presented in JOELibAcidic Group Count descriptor2D0
PaDELALogPGhose-Crippen LogKowALOGP descriptor2D2.685
PaDELALogp2Square of AlogPALOGP descriptor2D7.207
PaDELAMRMolar refractivityALOGP descriptor2D60.842
PaDELapolSum of the atomic polarizabilities (including implicit hydrogens)APol descriptor2D32.059
PaDELnaAromAtomNumber of aromatic atomsAromatic Atoms Count descriptor2D0
PaDELnAromBondNumber of aromatic bondsAromatic Bonds Count descriptor2D0
PaDELnAtomNumber of atomsAtom Count descriptor2D28
PaDELnHeavyAtomNumber of heavy atoms (i.e. not hydrogen)Atom Count descriptor2D14
PaDELnHNumber of hydrogen atomsAtom Count descriptor2D14
PaDELnBNumber of boron atomsAtom Count descriptor2D0
PaDELnCNumber of carbon atomsAtom Count descriptor2D12
PaDELnNNumber of nitrogen atomsAtom Count descriptor2D0
PaDELnONumber of oxygen atomsAtom Count descriptor2D2
PaDELnSNumber of sulphur atomsAtom Count descriptor2D0
PaDELnPNumber of phosphorus atomsAtom Count descriptor2D0
PaDELnFNumber of Fluorine AtomsConstitutional descriptor1D0
PaDELnClNumber of chlorine atomsAtom Count descriptor2D0
PaDELnBrNumber of bromine atomsAtom Count descriptor2D0
PaDELnINumber of iodine atomsAtom Count descriptor2D0
PaDELnXNumber of halogen atoms (F, Cl, Br, I, At, Uus)Atom Count descriptor2D0
PaDELATS0mBroto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D2257.33
PaDELATS1mBroto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D2332.897
PaDELATS2mBroto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D2989.402
PaDELATS3mBroto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D2836.797
PaDELATS4mBroto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D2424.677
PaDELATS5mBroto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D1874.819
PaDELATS6mBroto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1624.208
PaDELATS7mBroto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D1294.314
PaDELATS8mBroto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D967.527
PaDELATS0vBroto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D5950.157
PaDELATS1vBroto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D7173.187
PaDELATS2vBroto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D9306.645
PaDELATS3vBroto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D9338.644
PaDELATS4vBroto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D7614.096
PaDELATS5vBroto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D6128.022
PaDELATS6vBroto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D5694.225
PaDELATS7vBroto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D5364.252
PaDELATS8vBroto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D4536.652
PaDELATS0eBroto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D211.248
PaDELATS1eBroto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D212.694
PaDELATS2eBroto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D349.804
PaDELATS3eBroto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D391.379
PaDELATS4eBroto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D434.77
PaDELATS5eBroto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D338.068
PaDELATS6eBroto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D232.55
PaDELATS7eBroto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D256.686
PaDELATS8eBroto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D206.929
PaDELATS0pBroto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D40.978
PaDELATS1pBroto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D50.286
PaDELATS2pBroto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D67.37
PaDELATS3pBroto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D69.745
PaDELATS4pBroto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D57.247
PaDELATS5pBroto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D44.556
PaDELATS6pBroto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D42.866
PaDELATS7pBroto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D42.102
PaDELATS8pBroto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D37.994
PaDELATS0iBroto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D4481.282
PaDELATS1iBroto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D3998.484
PaDELATS2iBroto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D7021.051
PaDELATS3iBroto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D7949.576
PaDELATS4iBroto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D9394.367
PaDELATS5iBroto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D7198.445
PaDELATS6iBroto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D4754.247
PaDELATS7iBroto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D5405.01
PaDELATS8iBroto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D4436.093
PaDELATS0sBroto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D117.833
PaDELATS1sBroto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D88.194
PaDELATS2sBroto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D145.833
PaDELATS3sBroto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D155
PaDELATS4sBroto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D174.444
PaDELATS5sBroto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D133.444
PaDELATS6sBroto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D95.833
PaDELATS7sBroto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D101.5
PaDELATS8sBroto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D62.667
PaDELAATS0mAverage Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D80.619
PaDELAATS1mAverage Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D83.318
PaDELAATS2mAverage Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D64.987
PaDELAATS3mAverage Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D54.554
PaDELAATS4mAverage Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D42.538
PaDELAATS5mAverage Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D43.6
PaDELAATS6mAverage Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D52.394
PaDELAATS7mAverage Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D38.068
PaDELAATS8mAverage Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D33.363
PaDELAATS0vAverage Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D212.506
PaDELAATS1vAverage Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D256.185
PaDELAATS2vAverage Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D202.318
PaDELAATS3vAverage Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D179.589
PaDELAATS4vAverage Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D133.581
PaDELAATS5vAverage Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D142.512
PaDELAATS6vAverage Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D183.685
PaDELAATS7vAverage Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D157.772
PaDELAATS8vAverage Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D156.436
PaDELAATS0eAverage Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.545
PaDELAATS1eAverage Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.596
PaDELAATS2eAverage Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.604
PaDELAATS3eAverage Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.527
PaDELAATS4eAverage Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.628
PaDELAATS5eAverage Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.862
PaDELAATS6eAverage Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.502
PaDELAATS7eAverage Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.55
PaDELAATS8eAverage Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D7.135
PaDELAATS0pAverage Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D1.463
PaDELAATS1pAverage Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.796
PaDELAATS2pAverage Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D1.465
PaDELAATS3pAverage Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.341
PaDELAATS4pAverage Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D1.004
PaDELAATS5pAverage Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D1.036
PaDELAATS6pAverage Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D1.383
PaDELAATS7pAverage Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D1.238
PaDELAATS8pAverage Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D1.31
PaDELAATS0iAverage Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D160.046
PaDELAATS1iAverage Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D142.803
PaDELAATS2iAverage Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D152.632
PaDELAATS3iAverage Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D152.876
PaDELAATS4iAverage Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D164.813
PaDELAATS5iAverage Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D167.406
PaDELAATS6iAverage Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D153.363
PaDELAATS7iAverage Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D158.971
PaDELAATS8iAverage Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D152.969
PaDELAATS0sAverage Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D4.208
PaDELAATS1sAverage Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D3.15
PaDELAATS2sAverage Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D3.17
PaDELAATS3sAverage Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D2.981
PaDELAATS4sAverage Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D3.06
PaDELAATS5sAverage Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D3.103
PaDELAATS6sAverage Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D3.091
PaDELAATS7sAverage Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D2.985
PaDELAATS8sAverage Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D2.161
PaDELATSC0cCentered Broto-Moreau autocorrelation - lag 0 / weighted by chargesAuto correlation descriptor2D0.321
PaDELATSC1cCentered Broto-Moreau autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.179
PaDELATSC2cCentered Broto-Moreau autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0
PaDELATSC3cCentered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.03
PaDELATSC4cCentered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.04
PaDELATSC5cCentered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.068
PaDELATSC6cCentered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.039
PaDELATSC7cCentered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.018
PaDELATSC8cCentered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.014
PaDELATSC0mCentered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D964.758
PaDELATSC1mCentered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D20.804
PaDELATSC2mCentered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D106.695
PaDELATSC3mCentered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-224.906
PaDELATSC4mCentered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D185.07
PaDELATSC5mCentered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-24.065
PaDELATSC6mCentered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-169.033
PaDELATSC7mCentered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-380.963
PaDELATSC8mCentered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-333.713
PaDELATSC0vCentered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D1463.739
PaDELATSC1vCentered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-46.493
PaDELATSC2vCentered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D68.679
PaDELATSC3vCentered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-734.452
PaDELATSC4vCentered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D171.375
PaDELATSC5vCentered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D581.615
PaDELATSC6vCentered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D-254.352
PaDELATSC7vCentered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-188.559
PaDELATSC8vCentered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-607.713
PaDELATSC0eCentered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.977
PaDELATSC1eCentered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.011
PaDELATSC2eCentered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.727
PaDELATSC3eCentered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.007
PaDELATSC4eCentered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.356
PaDELATSC5eCentered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-1.133
PaDELATSC6eCentered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.185
PaDELATSC7eCentered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.687
PaDELATSC8eCentered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.047
PaDELATSC0pCentered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D6.703
PaDELATSC1pCentered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.489
PaDELATSC2pCentered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.373
PaDELATSC3pCentered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-4.31
PaDELATSC4pCentered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.093
PaDELATSC5pCentered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D3.904
PaDELATSC6pCentered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D-1.043
PaDELATSC7pCentered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.47
PaDELATSC8pCentered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-2.594
PaDELATSC0iCentered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D37.567
PaDELATSC1iCentered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-3.153
PaDELATSC2iCentered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D2.486
PaDELATSC3iCentered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-25.21
PaDELATSC4iCentered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-2.224
PaDELATSC5iCentered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D22.97
PaDELATSC6iCentered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-5.574
PaDELATSC7iCentered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D4.58
PaDELATSC8iCentered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-13.818
PaDELATSC0sCentered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D38.94
PaDELATSC1sCentered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-2.448
PaDELATSC2sCentered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D9.669
PaDELATSC3sCentered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.491
PaDELATSC4sCentered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-1.786
PaDELATSC5sCentered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-12.571
PaDELATSC6sCentered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.904
PaDELATSC7sCentered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-19.517
PaDELATSC8sCentered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-1.659
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 descriptor2D0
PaDELAATSC3cAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC4cAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC5cAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.002
PaDELAATSC6cAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.001
PaDELAATSC7cAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.001
PaDELAATSC8cAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0
PaDELAATSC0mAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by massAuto correlation descriptor2D34.456
PaDELAATSC1mAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.743
PaDELAATSC2mAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D2.319
PaDELAATSC3mAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-4.325
PaDELAATSC4mAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D3.247
PaDELAATSC5mAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.56
PaDELAATSC6mAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-5.453
PaDELAATSC7mAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-11.205
PaDELAATSC8mAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-11.507
PaDELAATSC0vAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumesAuto correlation descriptor2D52.276
PaDELAATSC1vAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-1.66
PaDELAATSC2vAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D1.493
PaDELAATSC3vAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-14.124
PaDELAATSC4vAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D3.007
PaDELAATSC5vAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D13.526
PaDELAATSC6vAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D-8.205
PaDELAATSC7vAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-5.546
PaDELAATSC8vAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-20.956
PaDELAATSC0eAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.071
PaDELAATSC1eAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELAATSC2eAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.016
PaDELAATSC3eAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0
PaDELAATSC4eAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.006
PaDELAATSC5eAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.026
PaDELAATSC6eAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.006
PaDELAATSC7eAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.02
PaDELAATSC8eAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.002
PaDELAATSC0pAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilitiesAuto correlation descriptor2D0.239
PaDELAATSC1pAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.017
PaDELAATSC2pAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.008
PaDELAATSC3pAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.083
PaDELAATSC4pAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.002
PaDELAATSC5pAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.091
PaDELAATSC6pAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D-0.034
PaDELAATSC7pAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.014
PaDELAATSC8pAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-0.089
PaDELAATSC0iAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potentialAuto correlation descriptor2D1.342
PaDELAATSC1iAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.113
PaDELAATSC2iAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.054
PaDELAATSC3iAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.485
PaDELAATSC4iAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.039
PaDELAATSC5iAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.534
PaDELAATSC6iAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.18
PaDELAATSC7iAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.135
PaDELAATSC8iAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.476
PaDELAATSC0sAverage centered Broto-Moreau autocorrelation - lag 0 / weighted by I-stateAuto correlation descriptor2D1.391
PaDELAATSC1sAverage centered Broto-Moreau autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.087
PaDELAATSC2sAverage centered Broto-Moreau autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.21
PaDELAATSC3sAverage centered Broto-Moreau autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.009
PaDELAATSC4sAverage centered Broto-Moreau autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.031
PaDELAATSC5sAverage centered Broto-Moreau autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.292
PaDELAATSC6sAverage centered Broto-Moreau autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.029
PaDELAATSC7sAverage centered Broto-Moreau autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.574
PaDELAATSC8sAverage centered Broto-Moreau autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.057
PaDELMATS1cMoran autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D-0.558
PaDELMATS2cMoran autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D0
PaDELMATS3cMoran autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D0.05
PaDELMATS4cMoran autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D0.062
PaDELMATS5cMoran autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D-0.137
PaDELMATS6cMoran autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D0.109
PaDELMATS7cMoran autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D-0.046
PaDELMATS8cMoran autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D-0.041
PaDELMATS1mMoran autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.022
PaDELMATS2mMoran autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D0.067
PaDELMATS3mMoran autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D-0.126
PaDELMATS4mMoran autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D0.094
PaDELMATS5mMoran autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D-0.016
PaDELMATS6mMoran autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D-0.158
PaDELMATS7mMoran autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D-0.325
PaDELMATS8mMoran autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D-0.334
PaDELMATS1vMoran autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D-0.032
PaDELMATS2vMoran autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D0.029
PaDELMATS3vMoran autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D-0.27
PaDELMATS4vMoran autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D0.058
PaDELMATS5vMoran autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.259
PaDELMATS6vMoran autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D-0.157
PaDELMATS7vMoran autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D-0.106
PaDELMATS8vMoran autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D-0.401
PaDELMATS1eMoran autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.006
PaDELMATS2eMoran autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.224
PaDELMATS3eMoran autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.002
PaDELMATS4eMoran autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.089
PaDELMATS5eMoran autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.373
PaDELMATS6eMoran autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.084
PaDELMATS7eMoran autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D-0.286
PaDELMATS8eMoran autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.023
PaDELMATS1pMoran autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D-0.073
PaDELMATS2pMoran autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.034
PaDELMATS3pMoran autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D-0.346
PaDELMATS4pMoran autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D-0.007
PaDELMATS5pMoran autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.379
PaDELMATS6pMoran autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D-0.141
PaDELMATS7pMoran autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.058
PaDELMATS8pMoran autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D-0.374
PaDELMATS1iMoran autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D-0.084
PaDELMATS2iMoran autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.04
PaDELMATS3iMoran autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D-0.361
PaDELMATS4iMoran autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D-0.029
PaDELMATS5iMoran autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.398
PaDELMATS6iMoran autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D-0.134
PaDELMATS7iMoran autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.1
PaDELMATS8iMoran autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D-0.355
PaDELMATS1sMoran autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D-0.063
PaDELMATS2sMoran autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.151
PaDELMATS3sMoran autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.007
PaDELMATS4sMoran autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D-0.023
PaDELMATS5sMoran autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D-0.21
PaDELMATS6sMoran autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D-0.021
PaDELMATS7sMoran autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D-0.413
PaDELMATS8sMoran autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D-0.041
PaDELGATS1cGeary autocorrelation - lag 1 / weighted by chargesAuto correlation descriptor2D1.549
PaDELGATS2cGeary autocorrelation - lag 2 / weighted by chargesAuto correlation descriptor2D1.022
PaDELGATS3cGeary autocorrelation - lag 3 / weighted by chargesAuto correlation descriptor2D1.135
PaDELGATS4cGeary autocorrelation - lag 4 / weighted by chargesAuto correlation descriptor2D1.223
PaDELGATS5cGeary autocorrelation - lag 5 / weighted by chargesAuto correlation descriptor2D1.748
PaDELGATS6cGeary autocorrelation - lag 6 / weighted by chargesAuto correlation descriptor2D1.234
PaDELGATS7cGeary autocorrelation - lag 7 / weighted by chargesAuto correlation descriptor2D0.777
PaDELGATS8cGeary autocorrelation - lag 8 / weighted by chargesAuto correlation descriptor2D0.27
PaDELGATS1mGeary autocorrelation - lag 1 / weighted by massAuto correlation descriptor2D0.871
PaDELGATS2mGeary autocorrelation - lag 2 / weighted by massAuto correlation descriptor2D0.888
PaDELGATS3mGeary autocorrelation - lag 3 / weighted by massAuto correlation descriptor2D1.064
PaDELGATS4mGeary autocorrelation - lag 4 / weighted by massAuto correlation descriptor2D0.953
PaDELGATS5mGeary autocorrelation - lag 5 / weighted by massAuto correlation descriptor2D1.135
PaDELGATS6mGeary autocorrelation - lag 6 / weighted by massAuto correlation descriptor2D1.092
PaDELGATS7mGeary autocorrelation - lag 7 / weighted by massAuto correlation descriptor2D1.302
PaDELGATS8mGeary autocorrelation - lag 8 / weighted by massAuto correlation descriptor2D1.168
PaDELGATS1vGeary autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation descriptor2D1.072
PaDELGATS2vGeary autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation descriptor2D0.957
PaDELGATS3vGeary autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation descriptor2D1.249
PaDELGATS4vGeary autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation descriptor2D0.849
PaDELGATS5vGeary autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation descriptor2D0.605
PaDELGATS6vGeary autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation descriptor2D1.142
PaDELGATS7vGeary autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation descriptor2D1.052
PaDELGATS8vGeary autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation descriptor2D1.432
PaDELGATS1eGeary autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.684
PaDELGATS2eGeary autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.772
PaDELGATS3eGeary autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.891
PaDELGATS4eGeary autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.559
PaDELGATS5eGeary autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D2.393
PaDELGATS6eGeary autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.944
PaDELGATS7eGeary autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D1.431
PaDELGATS8eGeary autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation descriptor2D0.112
PaDELGATS1pGeary autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation descriptor2D1.176
PaDELGATS2pGeary autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation descriptor2D0.982
PaDELGATS3pGeary autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation descriptor2D1.345
PaDELGATS4pGeary autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation descriptor2D0.901
PaDELGATS5pGeary autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation descriptor2D0.492
PaDELGATS6pGeary autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation descriptor2D1.147
PaDELGATS7pGeary autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation descriptor2D0.901
PaDELGATS8pGeary autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation descriptor2D1.398
PaDELGATS1iGeary autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation descriptor2D1.196
PaDELGATS2iGeary autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation descriptor2D0.984
PaDELGATS3iGeary autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation descriptor2D1.364
PaDELGATS4iGeary autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation descriptor2D0.935
PaDELGATS5iGeary autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation descriptor2D0.505
PaDELGATS6iGeary autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation descriptor2D1.143
PaDELGATS7iGeary autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation descriptor2D0.867
PaDELGATS8iGeary autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation descriptor2D1.355
PaDELGATS1sGeary autocorrelation - lag 1 / weighted by I-stateAuto correlation descriptor2D0.608
PaDELGATS2sGeary autocorrelation - lag 2 / weighted by I-stateAuto correlation descriptor2D0.554
PaDELGATS3sGeary autocorrelation - lag 3 / weighted by I-stateAuto correlation descriptor2D0.806
PaDELGATS4sGeary autocorrelation - lag 4 / weighted by I-stateAuto correlation descriptor2D1.541
PaDELGATS5sGeary autocorrelation - lag 5 / weighted by I-stateAuto correlation descriptor2D1.772
PaDELGATS6sGeary autocorrelation - lag 6 / weighted by I-stateAuto correlation descriptor2D1.164
PaDELGATS7sGeary autocorrelation - lag 7 / weighted by I-stateAuto correlation descriptor2D2.305
PaDELGATS8sGeary autocorrelation - lag 8 / weighted by I-stateAuto correlation descriptor2D0.227
PaDELSpAbs_DzZGraph energy from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D81.934
PaDELSpMax_DzZLeading eigenvalue from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D41.07
PaDELSpDiam_DzZSpectral diameter from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D63.834
PaDELSpAD_DzZSpectral absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D82.292
PaDELSpMAD_DzZSpectral mean absolute deviation from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D5.878
PaDELEE_DzZEstrada-like index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D41.07
PaDELSM1_DzZSpectral moment of order 1 from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.5
PaDELVE1_DzZCoefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.179
PaDELVE2_DzZAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D0.013
PaDELVE3_DzZLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D-2.411
PaDELVR1_DzZRandic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D90.729
PaDELVR2_DzZNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D6.481
PaDELVR3_DzZLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic numberBarysz Matrix descriptor2D6.311
PaDELSpAbs_DzmGraph energy from Barysz matrix / weighted by massBarysz Matrix descriptor2D81.956
PaDELSpMax_DzmLeading eigenvalue from Barysz matrix / weighted by massBarysz Matrix descriptor2D41.08
PaDELSpDiam_DzmSpectral diameter from Barysz matrix / weighted by massBarysz Matrix descriptor2D63.852
PaDELSpAD_DzmSpectral absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D82.312
PaDELSpMAD_DzmSpectral mean absolute deviation from Barysz matrix / weighted by massBarysz Matrix descriptor2D5.879
PaDELEE_DzmEstrada-like index from Barysz matrix / weighted by massBarysz Matrix descriptor2D41.08
PaDELSM1_DzmSpectral moment of order 1 from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.499
PaDELVE1_DzmCoefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.179
PaDELVE2_DzmAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D0.013
PaDELVE3_DzmLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by massBarysz Matrix descriptor2D-2.41
PaDELVR1_DzmRandic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D90.685
PaDELVR2_DzmNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D6.477
PaDELVR3_DzmLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by massBarysz Matrix descriptor2D6.31
PaDELSpAbs_DzvGraph energy from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D101.387
PaDELSpMax_DzvLeading eigenvalue from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D50.147
PaDELSpDiam_DzvSpectral diameter from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D80.381
PaDELSpAD_DzvSpectral absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D100.817
PaDELSpMAD_DzvSpectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D7.201
PaDELEE_DzvEstrada-like index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D50.147
PaDELSM1_DzvSpectral moment of order 1 from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-0.798
PaDELVE1_DzvCoefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.232
PaDELVE2_DzvAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D0.017
PaDELVE3_DzvLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D-2.048
PaDELVR1_DzvRandic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D74.422
PaDELVR2_DzvNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D5.316
PaDELVR3_DzvLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumesBarysz Matrix descriptor2D6.034
PaDELSpAbs_DzeGraph energy from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D81.979
PaDELSpMax_DzeLeading eigenvalue from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D41.091
PaDELSpDiam_DzeSpectral diameter from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D63.871
PaDELSpAD_DzeSpectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D82.334
PaDELSpMAD_DzeSpectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D5.881
PaDELEE_DzeEstrada-like index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D41.091
PaDELSM1_DzeSpectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.497
PaDELVE1_DzeCoefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.179
PaDELVE2_DzeAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D0.013
PaDELVE3_DzeLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D-2.409
PaDELVR1_DzeRandic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D90.638
PaDELVR2_DzeNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D6.474
PaDELVR3_DzeLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativitiesBarysz Matrix descriptor2D6.31
PaDELSpAbs_DzpGraph energy from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D122.045
PaDELSpMax_DzpLeading eigenvalue from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D59.793
PaDELSpDiam_DzpSpectral diameter from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D98.252
PaDELSpAD_DzpSpectral absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D120.499
PaDELSpMAD_DzpSpectral mean absolute deviation from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D8.607
PaDELEE_DzpEstrada-like index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D59.793
PaDELSM1_DzpSpectral moment of order 1 from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-2.165
PaDELVE1_DzpCoefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.26
PaDELVE2_DzpAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D0.019
PaDELVE3_DzpLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D-1.885
PaDELVR1_DzpRandic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D69.958
PaDELVR2_DzpNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D4.997
PaDELVR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilitiesBarysz Matrix descriptor2D5.947
PaDELSpAbs_DziGraph energy from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D84.226
PaDELSpMax_DziLeading eigenvalue from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D42.139
PaDELSpDiam_DziSpectral diameter from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D65.759
PaDELSpAD_DziSpectral absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D84.474
PaDELSpMAD_DziSpectral mean absolute deviation from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D6.034
PaDELEE_DziEstrada-like index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D42.139
PaDELSM1_DziSpectral moment of order 1 from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.346
PaDELVE1_DziCoefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.187
PaDELVE2_DziAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D0.013
PaDELVE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D-2.345
PaDELVR1_DziRandic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D86.743
PaDELVR2_DziNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D6.196
PaDELVR3_DziLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potentialBarysz Matrix descriptor2D6.248
PaDELSpAbs_DzsGraph energy from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D84.141
PaDELSpMax_DzsLeading eigenvalue from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D42.076
PaDELSpDiam_DzsSpectral diameter from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D65.762
PaDELSpAD_DzsSpectral absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D84.753
PaDELSpMAD_DzsSpectral mean absolute deviation from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D6.054
PaDELEE_DzsEstrada-like index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D42.076
PaDELSM1_DzsSpectral moment of order 1 from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D1.071
PaDELVE1_DzsCoefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.189
PaDELVE2_DzsAverage coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D0.013
PaDELVE3_DzsLogarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D-2.335
PaDELVR1_DzsRandic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D110.496
PaDELVR2_DzsNormalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D7.893
PaDELVR3_DzsLogarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-stateBarysz Matrix descriptor2D6.587
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 descriptor2D11.85
PaDELBCUTw-1hnlow highest atom weighted BCUTSBCUT descriptor2D15.996
PaDELBCUTc-1lnhigh lowest partial charge weighted BCUTSBCUT descriptor2D-0.308
PaDELBCUTc-1hnlow highest partial charge weighted BCUTSBCUT descriptor2D0.294
PaDELBCUTp-1lnhigh lowest polarizability weighted BCUTSBCUT descriptor2D4.693
PaDELBCUTp-1hnlow highest polarizability weighted BCUTSBCUT descriptor2D8.548
PaDELnBondsNumber of bondsPaDEL Bond Count descriptor2D14
PaDELnBonds2Total number of bonds (including bonds to hydrogens)PaDEL Bond Count descriptor2D28
PaDELnBondsSNumber of single bonds (including bonds with hydrogen)PaDEL Bond Count descriptor2D23
PaDELnBondsS2Total number of single bondsPaDEL Bond Count descriptor2D23
PaDELnBondsS3Total number of single bondsPaDEL Bond Count descriptor2D9
PaDELnBondsDNumber of double bondsPaDEL Bond Count descriptor2D5
PaDELnBondsD2Total number of double bondsPaDEL Bond Count descriptor2D5
PaDELnBondsTNumber of triple bondsPaDEL Bond Count descriptor2D0
PaDELnBondsQNumber of quadruple bondsPaDEL Bond Count descriptor2D0
PaDELnBondsMTotal number of bonds that have bond order greater than one (aromatic bonds have bond order 1.5).PaDEL Bond Count descriptor2D5
PaDELbpolSum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens)BPol descriptor2D18.179
PaDELSpMax1_BhmLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D3.788
PaDELSpMax2_BhmLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D3.531
PaDELSpMax3_BhmLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D3.215
PaDELSpMax4_BhmLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D2.701
PaDELSpMax5_BhmLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D2.649
PaDELSpMax6_BhmLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D2.342
PaDELSpMax7_BhmLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D2.334
PaDELSpMax8_BhmLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D1.777
PaDELSpMin1_BhmSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative massBurden Modified Eigen values descriptor2D1.923
PaDELSpMin2_BhmSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative massBurden Modified Eigen values descriptor2D1.828
PaDELSpMin3_BhmSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative massBurden Modified Eigen values descriptor2D1.379
PaDELSpMin4_BhmSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative massBurden Modified Eigen values descriptor2D1.25
PaDELSpMin5_BhmSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative massBurden Modified Eigen values descriptor2D1.138
PaDELSpMin6_BhmSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative massBurden Modified Eigen values descriptor2D1.102
PaDELSpMin7_BhmSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative massBurden Modified Eigen values descriptor2D0.675
PaDELSpMin8_BhmSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative massBurden Modified Eigen values descriptor2D0.541
PaDELSpMax1_BhvLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.766
PaDELSpMax2_BhvLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.53
PaDELSpMax3_BhvLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D3.081
PaDELSpMax4_BhvLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.696
PaDELSpMax5_BhvLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.675
PaDELSpMax6_BhvLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.405
PaDELSpMax7_BhvLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D2.249
PaDELSpMax8_BhvLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.738
PaDELSpMin1_BhvSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.912
PaDELSpMin2_BhvSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.785
PaDELSpMin3_BhvSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.4
PaDELSpMin4_BhvSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.135
PaDELSpMin5_BhvSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.126
PaDELSpMin6_BhvSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D1.029
PaDELSpMin7_BhvSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.683
PaDELSpMin8_BhvSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumesBurden Modified Eigen values descriptor2D0.485
PaDELSpMax1_BheLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.836
PaDELSpMax2_BheLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.632
PaDELSpMax3_BheLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D3.28
PaDELSpMax4_BheLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.892
PaDELSpMax5_BheLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.798
PaDELSpMax6_BheLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.704
PaDELSpMax7_BheLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.474
PaDELSpMax8_BheLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D2.073
PaDELSpMin1_BheSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.82
PaDELSpMin2_BheSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.635
PaDELSpMin3_BheSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D1.15
PaDELSpMin4_BheSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.891
PaDELSpMin5_BheSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.825
PaDELSpMin6_BheSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.76
PaDELSpMin7_BheSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.376
PaDELSpMin8_BheSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativitiesBurden Modified Eigen values descriptor2D0.074
PaDELSpMax1_BhpLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.767
PaDELSpMax2_BhpLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.54
PaDELSpMax3_BhpLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D3.046
PaDELSpMax4_BhpLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.714
PaDELSpMax5_BhpLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.695
PaDELSpMax6_BhpLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.458
PaDELSpMax7_BhpLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D2.221
PaDELSpMax8_BhpLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.768
PaDELSpMin1_BhpSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.909
PaDELSpMin2_BhpSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.759
PaDELSpMin3_BhpSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.422
PaDELSpMin4_BhpSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.104
PaDELSpMin5_BhpSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D1.058
PaDELSpMin6_BhpSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.983
PaDELSpMin7_BhpSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.677
PaDELSpMin8_BhpSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilitiesBurden Modified Eigen values descriptor2D0.423
PaDELSpMax1_BhiLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.851
PaDELSpMax2_BhiLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.672
PaDELSpMax3_BhiLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D3.282
PaDELSpMax4_BhiLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.959
PaDELSpMax5_BhiLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.863
PaDELSpMax6_BhiLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.839
PaDELSpMax7_BhiLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.512
PaDELSpMax8_BhiLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D2.186
PaDELSpMin1_BhiSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.802
PaDELSpMin2_BhiSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.596
PaDELSpMin3_BhiSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D1.14
PaDELSpMin4_BhiSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.823
PaDELSpMin5_BhiSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.766
PaDELSpMin6_BhiSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.631
PaDELSpMin7_BhiSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.345
PaDELSpMin8_BhiSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potentialBurden Modified Eigen values descriptor2D0.045
PaDELSpMax1_BhsLargest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D4.544
PaDELSpMax2_BhsLargest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.727
PaDELSpMax3_BhsLargest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D3.561
PaDELSpMax4_BhsLargest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.984
PaDELSpMax5_BhsLargest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.773
PaDELSpMax6_BhsLargest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.663
PaDELSpMax7_BhsLargest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.552
PaDELSpMax8_BhsLargest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D2.176
PaDELSpMin1_BhsSmallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.824
PaDELSpMin2_BhsSmallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.724
PaDELSpMin3_BhsSmallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-stateBurden Modified Eigen values descriptor2D1.191
PaDELSpMin4_BhsSmallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.97
PaDELSpMin5_BhsSmallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.952
PaDELSpMin6_BhsSmallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.893
PaDELSpMin7_BhsSmallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.373
PaDELSpMin8_BhsSmallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-stateBurden Modified Eigen values descriptor2D0.155
PaDELC1SP1Triply bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D0
PaDELC2SP1Triply bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC1SP2Doubly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D1
PaDELC2SP2Doubly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D6
PaDELC3SP2Doubly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D2
PaDELC1SP3Singly bound carbon bound to one other carbonPaDEL Carbon Types descriptor2D3
PaDELC2SP3Singly bound carbon bound to two other carbonsPaDEL Carbon Types descriptor2D0
PaDELC3SP3Singly bound carbon bound to three other carbonsPaDEL Carbon Types descriptor2D0
PaDELC4SP3Singly bound carbon bound to four other carbonsPaDEL Carbon Types descriptor2D0
PaDELSCH-3Simple chain, order 3ChiChain descriptor2D0
PaDELSCH-4Simple chain, order 4ChiChain descriptor2D0
PaDELSCH-5Simple chain, order 5ChiChain descriptor2D0
PaDELSCH-6Simple chain, order 6ChiChain descriptor2D0.102
PaDELSCH-7Simple chain, order 7ChiChain descriptor2D0.059
PaDELVCH-3Valence chain, order 3ChiChain descriptor2D0
PaDELVCH-4Valence chain, order 4ChiChain descriptor2D0
PaDELVCH-5Valence chain, order 5ChiChain descriptor2D0
PaDELVCH-6Valence chain, order 6ChiChain descriptor2D0.032
PaDELVCH-7Valence chain, order 7ChiChain descriptor2D0.016
PaDELSC-3Simple cluster, order 3ChiCluster descriptor2D0.811
PaDELSC-4Simple cluster, order 4ChiCluster descriptor2D0
PaDELSC-5Simple cluster, order 5ChiCluster descriptor2D0.118
PaDELSC-6Simple cluster, order 6ChiCluster descriptor2D0
PaDELVC-3Valence cluster, order 3ChiCluster descriptor2D0.414
PaDELVC-4Valence cluster, order 4ChiCluster descriptor2D0
PaDELVC-5Valence cluster, order 5ChiCluster descriptor2D0.014
PaDELVC-6Valence cluster, order 6ChiCluster descriptor2D0
PaDELSPC-4Simple path cluster, order 4ChiPathCluster descriptor2D1.309
PaDELSPC-5Simple path cluster, order 5ChiPathCluster descriptor2D1.529
PaDELSPC-6Simple path cluster, order 6ChiPathCluster descriptor2D1.633
PaDELVPC-4Valence path cluster, order 4ChiPathCluster descriptor2D0.446
PaDELVPC-5Valence path cluster, order 5ChiPathCluster descriptor2D0.348
PaDELVPC-6Valence path cluster, order 6ChiPathCluster descriptor2D0.283
PaDELSP-0Simple path, order 0PaDEL ChiPath descriptor2D10.389
PaDELSP-1Simple path, order 1PaDEL ChiPath descriptor2D6.698
PaDELSP-2Simple path, order 2PaDEL ChiPath descriptor2D5.7
PaDELSP-3Simple path, order 3PaDEL ChiPath descriptor2D3.896
PaDELSP-4Simple path, order 4PaDEL ChiPath descriptor2D2.787
PaDELSP-5Simple path, order 5PaDEL ChiPath descriptor2D1.936
PaDELSP-6Simple path, order 6PaDEL ChiPath descriptor2D1.106
PaDELSP-7Simple path, order 7PaDEL ChiPath descriptor2D0.628
PaDELASP-0Average simple path, order 0PaDEL ChiPath descriptor2D0.742
PaDELASP-1Average simple path, order 1PaDEL ChiPath descriptor2D0.478
PaDELASP-2Average simple path, order 2PaDEL ChiPath descriptor2D0.335
PaDELASP-3Average simple path, order 3PaDEL ChiPath descriptor2D0.216
PaDELASP-4Average simple path, order 4PaDEL ChiPath descriptor2D0.147
PaDELASP-5Average simple path, order 5PaDEL ChiPath descriptor2D0.097
PaDELASP-6Average simple path, order 6PaDEL ChiPath descriptor2D0.069
PaDELASP-7Average simple path, order 7PaDEL ChiPath descriptor2D0.045
PaDELVP-0Valence path, order 0PaDEL ChiPath descriptor2D8.488
PaDELVP-1Valence path, order 1PaDEL ChiPath descriptor2D4.555
PaDELVP-2Valence path, order 2PaDEL ChiPath descriptor2D3.246
PaDELVP-3Valence path, order 3PaDEL ChiPath descriptor2D1.716
PaDELVP-4Valence path, order 4PaDEL ChiPath descriptor2D0.942
PaDELVP-5Valence path, order 5PaDEL ChiPath descriptor2D0.544
PaDELVP-6Valence path, order 6PaDEL ChiPath descriptor2D0.233
PaDELVP-7Valence path, order 7PaDEL ChiPath descriptor2D0.12
PaDELAVP-0Average valence path, order 0PaDEL ChiPath descriptor2D0.606
PaDELAVP-1Average valence path, order 1PaDEL ChiPath descriptor2D0.325
PaDELAVP-2Average valence path, order 2PaDEL ChiPath descriptor2D0.191
PaDELAVP-3Average valence path, order 3PaDEL ChiPath descriptor2D0.095
PaDELAVP-4Average valence path, order 4PaDEL ChiPath descriptor2D0.05
PaDELAVP-5Average valence path, order 5PaDEL ChiPath descriptor2D0.027
PaDELAVP-6Average valence path, order 6PaDEL ChiPath descriptor2D0.015
PaDELAVP-7Average valence path, order 7PaDEL ChiPath descriptor2D0.009
PaDELSvSum of atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D17.222
PaDELSseSum of atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D27.876
PaDELSpeSum of atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D26.776
PaDELSareSum of atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D27.12
PaDELSpSum of atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D18.55
PaDELSiSum of first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D211.22
PaDELMvMean atomic van der Waals volumes (scaled on carbon atom)Constitutional descriptor2D0.615
PaDELMseMean atomic Sanderson electronegativities (scaled on carbon atom)Constitutional descriptor2D0.996
PaDELMpeMean atomic Pauling electronegativities (scaled on carbon atom)Constitutional descriptor2D0.956
PaDELMareMean atomic Allred-Rochow electronegativities (scaled on carbon atom)Constitutional descriptor2D0.969
PaDELMpMean atomic polarizabilities (scaled on carbon atom)Constitutional descriptor2D0.663
PaDELMiMean first first ionization potentials (scaled on carbon atom)Constitutional descriptor2D7.544
PaDELCrippenLogPCrippen's LogPCrippen descriptor2D2.704
PaDELCrippenMRCrippen's molar refractivityCrippen descriptor2D58.907
PaDELSpMax_DtLeading eigenvalue from detour matrixDetour Matrix descriptor2D71.739
PaDELSpDiam_DtSpectral diameter from detour matrixDetour Matrix descriptor2D106.731
PaDELSpAD_DtSpectral absolute deviation from detour matrixDetour Matrix descriptor2D143.477
PaDELSpMAD_DtSpectral mean absolute deviation from detour matrixDetour Matrix descriptor2D10.248
PaDELEE_DtEstrada-like index from detour matrixDetour Matrix descriptor2D71.739
PaDELVE1_DtCoefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.239
PaDELVE2_DtAverage coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D0.017
PaDELVE3_DtLogarithmic coefficient sum of the last eigenvector from detour matrixDetour Matrix descriptor2D-2.001
PaDELVR1_DtRandic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D103.857
PaDELVR2_DtNormalized Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D7.418
PaDELVR3_DtLogarithmic Randic-like eigenvector-based index from detour matrixDetour Matrix descriptor2D6.5
PaDELECCENA topological descriptor combining distance and adjacency informationEccentric Connectivity Index descriptor2D195
PaDELnHBdCount of E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnwHBdCount of E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELnHBaCount of E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D2
PaDELnwHBaCount of E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D9
PaDELnHBint2Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELnHBint3Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELnHBint4Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELnHBint5Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELnHBint6Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELnHBint7Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELnHBint8Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELnHBint9Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELnHBint10Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELnHsOHCount of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELnHdNHCount of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnHsSHCount of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELnHsNH2Count of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnHssNHCount of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnHaaNHCount of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELnHsNH3pCount of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnHssNH2pCount of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELnHsssNHpCount of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELnHtCHCount of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELnHdCH2Count of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELnHdsCHCount of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D6
PaDELnHaaCHCount of atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELnHCHnXCount of atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELnHCsatsCount of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELnHCsatuCount of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D3
PaDELnHAvinCount of atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELnHotherCount of atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D6
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 descriptor2D1
PaDELntCHCount of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELndsCHCount of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D6
PaDELnaaCHCount of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELnsssCHCount of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELnddCCount of atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELntsCCount of atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELndssCCount of atom-type E-State: =C<Electrotopological State Atom Type descriptor2D3
PaDELnaasCCount of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELnaaaCCount of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELnssssCCount of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELnsNH3pCount of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELnsNH2Count of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELnssNH2pCount of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELndNHCount of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELnssNHCount of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELnaaNHCount of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELntNCount of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELnsssNHpCount of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELndsNCount of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELnaaNCount of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELnsssNCount of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELnddsNCount of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELnaasNCount of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELnssssNpCount of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELnsOHCount of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELndOCount of atom-type E-State: =OElectrotopological State Atom Type descriptor2D1
PaDELnssOCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D1
PaDELnaaOCount of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELnaOmCount of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELnsOmCount of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELnsFCount of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELnsSiH3Count of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELnssSiH2Count of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSiHCount of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSiCount of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELnsPH2Count of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELnssPHCount of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELnsssPCount of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELndsssPCount of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELnddsPCount of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELnsssssPCount of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELnsSHCount of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELndSCount of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELnssSCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnaaSCount of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELndssSCount of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELnddssSCount of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELnssssssSCount of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELnSmCount of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELnsClCount of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELnsGeH3Count of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELnssGeH2Count of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssGeHCount of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELnssssGeCount of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELnsAsH2Count of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELnssAsHCount of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELnsssAsCount of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELndsssAsCount of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELnddsAsCount of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELnsssssAsCount of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELnsSeHCount of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELndSeCount of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELnssSeCount of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELnaaSeCount of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELndssSeCount of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELnssssssSeCount of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELnddssSeCount of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELnsBrCount of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELnsSnH3Count of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELnssSnH2Count of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssSnHCount of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELnssssSnCount of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELnsICount of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELnsPbH3Count of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELnssPbH2Count of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELnsssPbHCount of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELnssssPbCount of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELSHBdSum of E-States for (strong) hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSwHBdSum of E-States for weak hydrogen bond donorsElectrotopological State Atom Type descriptor2D0
PaDELSHBaSum of E-States for (strong) hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D16.398
PaDELSwHBaSum of E-States for weak hydrogen bond acceptorsElectrotopological State Atom Type descriptor2D12.321
PaDELSHBint2Sum of E-State descriptors of strength for potential hydrogen bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELSHBint3Sum of E-State descriptors of strength for potential hydrogen bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELSHBint4Sum of E-State descriptors of strength for potential hydrogen bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELSHBint5Sum of E-State descriptors of strength for potential hydrogen bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELSHBint6Sum of E-State descriptors of strength for potential hydrogen bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELSHBint7Sum of E-State descriptors of strength for potential hydrogen bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELSHBint8Sum of E-State descriptors of strength for potential hydrogen bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELSHBint9Sum of E-State descriptors of strength for potential hydrogen bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELSHBint10Sum of E-State descriptors of strength for potential hydrogen bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELSHsOHSum of atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSHdNHSum of atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSHsSHSum of atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSHsNH2Sum of atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSHssNHSum of atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSHaaNHSum of atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELSHsNH3pSum of atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSHssNH2pSum of atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSHsssNHpSum of atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSHtCHSum of atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSHdCH2Sum of atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSHdsCHSum of atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D3.041
PaDELSHaaCHSum of atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELSHCHnXSum of atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELSHCsatsSum of atom-type H E-State: H on C sp3 bonded to saturated CElectrotopological State Atom Type descriptor2D0
PaDELSHCsatuSum of atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D1.469
PaDELSHAvinSum of atom-type H E-State: H on C vinyl bonded to C aromaticElectrotopological State Atom Type descriptor2D0
PaDELSHotherSum of atom-type H E-State: H on aaCH, dCH2 or dsCHElectrotopological State Atom Type descriptor2D3.041
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 descriptor2D3.937
PaDELSdCH2Sum of atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELSssCH2Sum of atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.343
PaDELStCHSum of atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELSdsCHSum of atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D10.86
PaDELSaaCHSum of atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELSsssCHSum of atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELSddCSum of atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELStsCSum of atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELSdssCSum of atom-type E-State: =C<Electrotopological State Atom Type descriptor2D1.462
PaDELSaasCSum of atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELSaaaCSum of atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELSssssCSum of atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELSsNH3pSum of atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELSsNH2Sum of atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELSssNH2pSum of atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELSdNHSum of atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELSssNHSum of atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELSaaNHSum of atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELStNSum of atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELSsssNHpSum of atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELSdsNSum of atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELSaaNSum of atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELSsssNSum of atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELSddsNSum of atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELSaasNSum of atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELSssssNpSum of atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELSsOHSum of atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELSdOSum of atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.375
PaDELSssOSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D5.024
PaDELSaaOSum of atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELSaOmSum of atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELSsOmSum of atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELSsFSum of atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELSsSiH3Sum of atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELSssSiH2Sum of atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSiHSum of atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSiSum of atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELSsPH2Sum of atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELSssPHSum of atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELSsssPSum of atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELSdsssPSum of atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELSddsPSum of atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELSsssssPSum of atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELSsSHSum of atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELSdSSum of atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELSssSSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSaaSSum of atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELSdssSSum of atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELSddssSSum of atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELSssssssSSum of atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELSSmSum of atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELSsClSum of atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELSsGeH3Sum of atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELSssGeH2Sum of atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssGeHSum of atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELSssssGeSum of atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELSsAsH2Sum of atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELSssAsHSum of atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELSsssAsSum of atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELSdsssAsSum of atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELSddsAsSum of atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELSsssssAsSum of atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELSsSeHSum of atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELSdSeSum of atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELSssSeSum of atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELSaaSeSum of atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELSdssSeSum of atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELSssssssSeSum of atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELSddssSeSum of atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELSsBrSum of atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELSsSnH3Sum of atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELSssSnH2Sum of atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssSnHSum of atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELSssssSnSum of atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELSsISum of atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELSsPbH3Sum of atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELSssPbH2Sum of atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELSsssPbHSum of atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELSssssPbSum of atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELminHBdMinimum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminwHBdMinimum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELminHBaMinimum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D5.024
PaDELminwHBaMinimum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D-0.275
PaDELminHBint2Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELminHBint3Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELminHBint4Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELminHBint5Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELminHBint6Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELminHBint7Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELminHBint8Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELminHBint9Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELminHBint10Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELminHsOHMinimum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELminHdNHMinimum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminHsSHMinimum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELminHsNH2Minimum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminHssNHMinimum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminHaaNHMinimum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELminHsNH3pMinimum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminHssNH2pMinimum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELminHsssNHpMinimum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELminHtCHMinimum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELminHdCH2Minimum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminHdsCHMinimum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.455
PaDELminHaaCHMinimum atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminHCHnXMinimum atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELminHCsatsMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELminHCsatuMinimum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.384
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 descriptor2D0.455
PaDELminHmiscMinimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELminsLiMinimum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELminssBeMinimum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELminssssBemMinimum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELminsBH2Minimum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELminssBHMinimum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELminsssBMinimum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELminssssBmMinimum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELminsCH3Minimum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D1.969
PaDELmindCH2Minimum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELminssCH2Minimum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.343
PaDELmintCHMinimum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmindsCHMinimum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D1.741
PaDELminaaCHMinimum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELminsssCHMinimum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELminddCMinimum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmintsCMinimum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmindssCMinimum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D-0.275
PaDELminaasCMinimum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELminaaaCMinimum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELminssssCMinimum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELminsNH3pMinimum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELminsNH2Minimum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELminssNH2pMinimum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmindNHMinimum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELminssNHMinimum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELminaaNHMinimum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmintNMinimum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELminsssNHpMinimum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmindsNMinimum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELminaaNMinimum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELminsssNMinimum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELminddsNMinimum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELminaasNMinimum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELminssssNpMinimum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELminsOHMinimum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmindOMinimum atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.375
PaDELminssOMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D5.024
PaDELminaaOMinimum atom-type E-State: :O:Electrotopological State Atom Type descriptor2D0
PaDELminaOmMinimum atom-type E-State: :O-0.5Electrotopological State Atom Type descriptor2D0
PaDELminsOmMinimum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D0
PaDELminsFMinimum atom-type E-State: -FElectrotopological State Atom Type descriptor2D0
PaDELminsSiH3Minimum atom-type E-State: -SiH3Electrotopological State Atom Type descriptor2D0
PaDELminssSiH2Minimum atom-type E-State: -SiH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSiHMinimum atom-type E-State: >SiH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSiMinimum atom-type E-State: >Si<Electrotopological State Atom Type descriptor2D0
PaDELminsPH2Minimum atom-type E-State: -PH2Electrotopological State Atom Type descriptor2D0
PaDELminssPHMinimum atom-type E-State: -PH-Electrotopological State Atom Type descriptor2D0
PaDELminsssPMinimum atom-type E-State: >P-Electrotopological State Atom Type descriptor2D0
PaDELmindsssPMinimum atom-type E-State: ->P=Electrotopological State Atom Type descriptor2D0
PaDELminddsPMinimum atom-type E-State: -=P=Electrotopological State Atom Type descriptor2D0
PaDELminsssssPMinimum atom-type E-State: ->P<Electrotopological State Atom Type descriptor2D0
PaDELminsSHMinimum atom-type E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmindSMinimum atom-type E-State: =SElectrotopological State Atom Type descriptor2D0
PaDELminssSMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminaaSMinimum atom-type E-State: aSaElectrotopological State Atom Type descriptor2D0
PaDELmindssSMinimum atom-type E-State: >S=Electrotopological State Atom Type descriptor2D0
PaDELminddssSMinimum atom-type E-State: >S==Electrotopological State Atom Type descriptor2D0
PaDELminssssssSMinimum atom-type E-State: >S<<Electrotopological State Atom Type descriptor2D0
PaDELminSmMinimum atom-type E-State: -S-Electrotopological State Atom Type descriptor2D0
PaDELminsClMinimum atom-type E-State: -ClElectrotopological State Atom Type descriptor2D0
PaDELminsGeH3Minimum atom-type E-State: -GeH3Electrotopological State Atom Type descriptor2D0
PaDELminssGeH2Minimum atom-type E-State: -GeH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssGeHMinimum atom-type E-State: >GeH-Electrotopological State Atom Type descriptor2D0
PaDELminssssGeMinimum atom-type E-State: >Ge<Electrotopological State Atom Type descriptor2D0
PaDELminsAsH2Minimum atom-type E-State: -AsH2Electrotopological State Atom Type descriptor2D0
PaDELminssAsHMinimum atom-type E-State: -AsH-Electrotopological State Atom Type descriptor2D0
PaDELminsssAsMinimum atom-type E-State: >As-Electrotopological State Atom Type descriptor2D0
PaDELmindsssAsMinimum atom-type E-State: ->As=Electrotopological State Atom Type descriptor2D0
PaDELminddsAsMinimum atom-type E-State: -=As=Electrotopological State Atom Type descriptor2D0
PaDELminsssssAsMinimum atom-type E-State: ->As<Electrotopological State Atom Type descriptor2D0
PaDELminsSeHMinimum atom-type E-State: -SeHElectrotopological State Atom Type descriptor2D0
PaDELmindSeMinimum atom-type E-State: =SeElectrotopological State Atom Type descriptor2D0
PaDELminssSeMinimum atom-type E-State: -Se-Electrotopological State Atom Type descriptor2D0
PaDELminaaSeMinimum atom-type E-State: aSeaElectrotopological State Atom Type descriptor2D0
PaDELmindssSeMinimum atom-type E-State: >Se=Electrotopological State Atom Type descriptor2D0
PaDELminssssssSeMinimum atom-type E-State: >Se<<Electrotopological State Atom Type descriptor2D0
PaDELminddssSeMinimum atom-type E-State: -=Se=-Electrotopological State Atom Type descriptor2D0
PaDELminsBrMinimum atom-type E-State: -BrElectrotopological State Atom Type descriptor2D0
PaDELminsSnH3Minimum atom-type E-State: -SnH3Electrotopological State Atom Type descriptor2D0
PaDELminssSnH2Minimum atom-type E-State: -SnH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssSnHMinimum atom-type E-State: >SnH-Electrotopological State Atom Type descriptor2D0
PaDELminssssSnMinimum atom-type E-State: >Sn<Electrotopological State Atom Type descriptor2D0
PaDELminsIMinimum atom-type E-State: -IElectrotopological State Atom Type descriptor2D0
PaDELminsPbH3Minimum atom-type E-State: -PbH3Electrotopological State Atom Type descriptor2D0
PaDELminssPbH2Minimum atom-type E-State: -PbH2-Electrotopological State Atom Type descriptor2D0
PaDELminsssPbHMinimum atom-type E-State: >PbH-Electrotopological State Atom Type descriptor2D0
PaDELminssssPbMinimum atom-type E-State: >Pb<Electrotopological State Atom Type descriptor2D0
PaDELmaxHBdMaximum E-States for (strong) Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxwHBdMaximum E-States for weak Hydrogen Bond donorsElectrotopological State Atom Type descriptor2D0
PaDELmaxHBaMaximum E-States for (strong) Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D11.375
PaDELmaxwHBaMaximum E-States for weak Hydrogen Bond acceptorsElectrotopological State Atom Type descriptor2D1.876
PaDELmaxHBint2Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 2Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint3Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 3Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint4Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 4Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint5Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 5Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint6Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 6Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint7Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 7Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint8Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 8Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint9Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 9Electrotopological State Atom Type descriptor2D0
PaDELmaxHBint10Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 10Electrotopological State Atom Type descriptor2D0
PaDELmaxHsOHMaximum atom-type H E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdNHMaximum atom-type H E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsSHMaximum atom-type H E-State: -SHElectrotopological State Atom Type descriptor2D0
PaDELmaxHsNH2Maximum atom-type H E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNHMaximum atom-type H E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxHaaNHMaximum atom-type H E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxHsNH3pMaximum atom-type H E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxHssNH2pMaximum atom-type H E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHsssNHpMaximum atom-type H E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxHtCHMaximum atom-type H E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxHdCH2Maximum atom-type H E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxHdsCHMaximum atom-type H E-State: =CH-Electrotopological State Atom Type descriptor2D0.542
PaDELmaxHaaCHMaximum atom-type H E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxHCHnXMaximum atom-type H E-State: CHnXElectrotopological State Atom Type descriptor2D0
PaDELmaxHCsatsMaximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELmaxHCsatuMaximum atom-type H E-State: H on C sp3 bonded to unsaturated CElectrotopological State Atom Type descriptor2D0.701
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 descriptor2D0.542
PaDELmaxHmiscMaximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or PbElectrotopological State Atom Type descriptor2D0
PaDELmaxsLiMaximum atom-type E-State: -LiElectrotopological State Atom Type descriptor2D0
PaDELmaxssBeMaximum atom-type E-State: -Be-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBemMaximum atom-type E-State: >Be<-2Electrotopological State Atom Type descriptor2D0
PaDELmaxsBH2Maximum atom-type E-State: -BH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssBHMaximum atom-type E-State: -BH-Electrotopological State Atom Type descriptor2D0
PaDELmaxsssBMaximum atom-type E-State: -B<Electrotopological State Atom Type descriptor2D0
PaDELmaxssssBmMaximum atom-type E-State: >B<-Electrotopological State Atom Type descriptor2D0
PaDELmaxsCH3Maximum atom-type E-State: -CH3Electrotopological State Atom Type descriptor2D1.969
PaDELmaxdCH2Maximum atom-type E-State: =CH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssCH2Maximum atom-type E-State: -CH2-Electrotopological State Atom Type descriptor2D0.343
PaDELmaxtCHMaximum atom-type E-State: #CHElectrotopological State Atom Type descriptor2D0
PaDELmaxdsCHMaximum atom-type E-State: =CH-Electrotopological State Atom Type descriptor2D1.876
PaDELmaxaaCHMaximum atom-type E-State: :CH:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssCHMaximum atom-type E-State: >CH-Electrotopological State Atom Type descriptor2D0
PaDELmaxddCMaximum atom-type E-State: =C=Electrotopological State Atom Type descriptor2D0
PaDELmaxtsCMaximum atom-type E-State: #C-Electrotopological State Atom Type descriptor2D0
PaDELmaxdssCMaximum atom-type E-State: =C<Electrotopological State Atom Type descriptor2D1.144
PaDELmaxaasCMaximum atom-type E-State: :C:-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaaCMaximum atom-type E-State: ::C:Electrotopological State Atom Type descriptor2D0
PaDELmaxssssCMaximum atom-type E-State: >C<Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH3pMaximum atom-type E-State: -NH3+Electrotopological State Atom Type descriptor2D0
PaDELmaxsNH2Maximum atom-type E-State: -NH2Electrotopological State Atom Type descriptor2D0
PaDELmaxssNH2pMaximum atom-type E-State: -NH2-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdNHMaximum atom-type E-State: =NHElectrotopological State Atom Type descriptor2D0
PaDELmaxssNHMaximum atom-type E-State: -NH-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNHMaximum atom-type E-State: :NH:Electrotopological State Atom Type descriptor2D0
PaDELmaxtNMaximum atom-type E-State: #NElectrotopological State Atom Type descriptor2D0
PaDELmaxsssNHpMaximum atom-type E-State: >NH-+Electrotopological State Atom Type descriptor2D0
PaDELmaxdsNMaximum atom-type E-State: =N-Electrotopological State Atom Type descriptor2D0
PaDELmaxaaNMaximum atom-type E-State: :N:Electrotopological State Atom Type descriptor2D0
PaDELmaxsssNMaximum atom-type E-State: >N-Electrotopological State Atom Type descriptor2D0
PaDELmaxddsNMaximum atom-type E-State: -N<<Electrotopological State Atom Type descriptor2D0
PaDELmaxaasNMaximum atom-type E-State: :N:-Electrotopological State Atom Type descriptor2D0
PaDELmaxssssNpMaximum atom-type E-State: >N<+Electrotopological State Atom Type descriptor2D0
PaDELmaxsOHMaximum atom-type E-State: -OHElectrotopological State Atom Type descriptor2D0
PaDELmaxdOMaximum atom-type E-State: =OElectrotopological State Atom Type descriptor2D11.375
PaDELmaxssOMaximum atom-type E-State: -O-Electrotopological State Atom Type descriptor2D5.024
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 descriptor2D33
PaDELmeanIMean intrinsic state values IElectrotopological State Atom Type descriptor2D2.357
PaDELhmaxMaximum H E-StateElectrotopological State Atom Type descriptor2D0.701
PaDELgmaxMaximum E-StateElectrotopological State Atom Type descriptor2D11.375
PaDELhminMinimum H E-StateElectrotopological State Atom Type descriptor2D0.122
PaDELgminMinimum E-StateElectrotopological State Atom Type descriptor2D-0.275
PaDELLipoaffinityIndexLipoaffinity indexElectrotopological State Atom Type descriptor2D4.701
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 descriptor2D1.942
PaDELMAXDPMaximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D4.375
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 descriptor2D11.796
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 descriptor2D1.942
PaDELMAXDP2Maximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.Electrotopological State Atom Type descriptor2D4.375
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 descriptor2D11.796
PaDELETA_AlphaSum of alpha values of all non-hydrogen vertices of a moleculeExtended Topochemical Atom descriptor2D6.667
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 descriptor2D0.555
PaDELETA_Epsilon_2A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.81
PaDELETA_Epsilon_3A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.433
PaDELETA_Epsilon_4A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.498
PaDELETA_Epsilon_5A measure of electronegative atom countExtended Topochemical Atom descriptor2D0.81
PaDELETA_dEpsilon_AA measure of contribution of unsaturation and electronegative atom countExtended Topochemical Atom descriptor2D0.121
PaDELETA_dEpsilon_BA measure of contribution of unsaturationExtended Topochemical Atom descriptor2D0.057
PaDELETA_dEpsilon_CA measure of contribution of electronegativityExtended Topochemical Atom descriptor2D-0.065
PaDELETA_dEpsilon_DA measure of contribution of hydrogen bond donor atomsExtended Topochemical Atom descriptor2D0
PaDELETA_Psi_1A measure of hydrogen bonding propensity of the molecules and/or polar surface areaExtended Topochemical Atom descriptor2D0.588
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 descriptor2D0.2
PaDELETA_Shape_YShape index YExtended Topochemical Atom descriptor2D0.225
PaDELETA_Shape_XShape index XExtended Topochemical Atom descriptor2D0
PaDELETA_BetaA measure of electronic features of the moleculeExtended Topochemical Atom descriptor2D14.75
PaDELETA_BetaPA measure of electronic features of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D1.054
PaDELETA_Beta_sA measure of electronegative atom count of the moleculeExtended Topochemical Atom descriptor2D7.75
PaDELETA_BetaP_sA measure of electronegative atom count of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.554
PaDELETA_Beta_nsA measure of electron-richness of the moleculeExtended Topochemical Atom descriptor2D7
PaDELETA_BetaP_nsA measure of electron-richness of the molecule relative to molecular sizeExtended Topochemical Atom descriptor2D0.5
PaDELETA_dBetaA measure of relative unsaturation contentExtended Topochemical Atom descriptor2D-0.75
PaDELETA_dBetaPA measure of relative unsaturation content relative to molecular sizeExtended Topochemical Atom descriptor2D-0.054
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 descriptor2D9.455
PaDELETA_EtaPComposite index Eta relative to molecular sizeExtended Topochemical Atom descriptor2D0.675
PaDELETA_Eta_RComposite index Eta for reference alkaneExtended Topochemical Atom descriptor2D18.68
PaDELETA_Eta_FFunctionality index EtaFExtended Topochemical Atom descriptor2D9.225
PaDELETA_EtaP_FFunctionality index EtaF relative to molecular sizeExtended Topochemical Atom descriptor2D0.659
PaDELETA_Eta_LLocal index Eta_localExtended Topochemical Atom descriptor2D3.376
PaDELETA_EtaP_LLocal index Eta_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.241
PaDELETA_Eta_R_LLocal index Eta_local for reference alkaneExtended Topochemical Atom descriptor2D6.698
PaDELETA_Eta_F_LLocal functionality contribution EtaF_localExtended Topochemical Atom descriptor2D3.323
PaDELETA_EtaP_F_LLocal functionality contribution EtaF_local relative to molecular sizeExtended Topochemical Atom descriptor2D0.237
PaDELETA_Eta_BBranching index EtaBExtended Topochemical Atom descriptor2D0.216
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 descriptor2D0.302
PaDELETA_EtaP_B_RCBranching index EtaB (with ring correction) relative to molecular sizeExtended Topochemical Atom descriptor2D0.022
PaDELFMFComplexity of a moleculeFMF descriptor2D0.214
PaDELfragCComplexity of a systemPaDEL Fragment Complexity descriptor2D14.02
PaDELnHBAccNumber of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)PaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc2Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc3Number of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBAcc_LipinskiNumber of hydrogen bond acceptorsPaDEL HBond Acceptor Count descriptor2D2
PaDELnHBDonNumber of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)PaDEL HBond Donor Count descriptor2D0
PaDELnHBDon_LipinskiNumber of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor)PaDEL HBond Donor Count descriptor2D0
PaDELHybRatioFraction of sp3 carbons to sp2 carbonsHybridization Ratio descriptor2D0.25
PaDELIC0Information content index (neighborhood symmetry of 0-order)Information Content descriptor2D1.296
PaDELIC1Information content index (neighborhood symmetry of 1-order)Information Content descriptor2D2.91
PaDELIC2Information content index (neighborhood symmetry of 2-order)Information Content descriptor2D3.455
PaDELIC3Information content index (neighborhood symmetry of 3-order)Information Content descriptor2D3.798
PaDELIC4Information content index (neighborhood symmetry of 4-order)Information Content descriptor2D3.968
PaDELIC5Information content index (neighborhood symmetry of 5-order)Information Content descriptor2D3.968
PaDELTIC0Total information content index (neighborhood symmetry of 0-order)Information Content descriptor2D36.283
PaDELTIC1Total information content index (neighborhood symmetry of 1-order)Information Content descriptor2D81.487
PaDELTIC2Total information content index (neighborhood symmetry of 2-order)Information Content descriptor2D96.732
PaDELTIC3Total information content index (neighborhood symmetry of 3-order)Information Content descriptor2D106.341
PaDELTIC4Total information content index (neighborhood symmetry of 4-order)Information Content descriptor2D111.096
PaDELTIC5Total information content index (neighborhood symmetry of 5-order)Information Content descriptor2D111.096
PaDELSIC0Structural information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.27
PaDELSIC1Structural information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.605
PaDELSIC2Structural information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.719
PaDELSIC3Structural information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.79
PaDELSIC4Structural information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.825
PaDELSIC5Structural information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.825
PaDELCIC0Complementary information content index (neighborhood symmetry of 0-order)Information Content descriptor2D3.512
PaDELCIC1Complementary information content index (neighborhood symmetry of 1-order)Information Content descriptor2D1.897
PaDELCIC2Complementary information content index (neighborhood symmetry of 2-order)Information Content descriptor2D1.353
PaDELCIC3Complementary information content index (neighborhood symmetry of 3-order)Information Content descriptor2D1.009
PaDELCIC4Complementary information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.84
PaDELCIC5Complementary information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.84
PaDELBIC0Bond information content index (neighborhood symmetry of 0-order)Information Content descriptor2D0.257
PaDELBIC1Bond information content index (neighborhood symmetry of 1-order)Information Content descriptor2D0.577
PaDELBIC2Bond information content index (neighborhood symmetry of 2-order)Information Content descriptor2D0.685
PaDELBIC3Bond information content index (neighborhood symmetry of 3-order)Information Content descriptor2D0.753
PaDELBIC4Bond information content index (neighborhood symmetry of 4-order)Information Content descriptor2D0.787
PaDELBIC5Bond information content index (neighborhood symmetry of 5-order)Information Content descriptor2D0.787
PaDELMIC0Modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D11.14
PaDELMIC1Modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D25.384
PaDELMIC2Modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D27.838
PaDELMIC3Modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D30.051
PaDELMIC4Modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D30.222
PaDELMIC5Modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D30.222
PaDELZMIC0Z-modified information content index (neighborhood symmetry of 0-order)Information Content descriptor2D49.071
PaDELZMIC1Z-modified information content index (neighborhood symmetry of 1-order)Information Content descriptor2D31.464
PaDELZMIC2Z-modified information content index (neighborhood symmetry of 2-order)Information Content descriptor2D26.431
PaDELZMIC3Z-modified information content index (neighborhood symmetry of 3-order)Information Content descriptor2D22.668
PaDELZMIC4Z-modified information content index (neighborhood symmetry of 4-order)Information Content descriptor2D22.147
PaDELZMIC5Z-modified information content index (neighborhood symmetry of 5-order)Information Content descriptor2D22.147
PaDELKier1First kappa shape indexKappaShape Indices descriptor2D12.071
PaDELKier2Second kappa shape indexKappaShape Indices descriptor2D6.478
PaDELKier3Third kappa (κ) shape indexKappaShape Indices descriptor2D4.889
PaDELnAtomLCNumber of atoms in the largest chainLargest Chain descriptor2D8
PaDELnAtomPNumber of atoms in the largest pi systemLargest Pi System descriptor2D9
PaDELnAtomLACNumber of atoms in the longest aliphatic chainLongest Aliphatic Chain descriptor2D4
PaDELMLogPMannhold LogPMannhold LogP descriptor2D2.56
PaDELMcGowan_VolumeMcGowan characteristic volumeMcGowan Volume descriptor2D1.593
PaDELMDEC-11Molecular distance edge between all primary carbonsMDE descriptor2D0.5
PaDELMDEC-12Molecular distance edge between all primary and secondary carbonsMDE descriptor2D2.507
PaDELMDEC-13Molecular distance edge between all primary and tertiary carbonsMDE descriptor2D1.931
PaDELMDEC-14Molecular distance edge between all primary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-22Molecular distance edge between all secondary carbonsMDE descriptor2D7.543
PaDELMDEC-23Molecular distance edge between all secondary and tertiary carbonsMDE descriptor2D7.373
PaDELMDEC-24Molecular distance edge between all secondary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-33Molecular distance edge between all tertiary carbonsMDE descriptor2D1.105
PaDELMDEC-34Molecular distance edge between all tertiary and quaternary carbonsMDE descriptor2D0
PaDELMDEC-44Molecular distance edge between all quaternary carbonsMDE descriptor2D0
PaDELMDEO-11Molecular distance edge between all primary oxygensMDE descriptor2D0
PaDELMDEO-12Molecular distance edge between all primary and secondary oxygensMDE descriptor2D0.5
PaDELMDEO-22Molecular distance edge between all secondary oxygensMDE descriptor2D0
PaDELMDEN-11Molecular distance edge between all primary nitrogensMDE descriptor2D0
PaDELMDEN-12Molecular distance edge between all primary and secondary nitrogensMDE descriptor2D0
PaDELMDEN-13Molecular distance edge between all primary and tertiary niroqensMDE descriptor2D0
PaDELMDEN-22Molecular distance edge between all secondary nitroqensMDE descriptor2D0
PaDELMDEN-23Molecular distance edge between all secondary and tertiary nitrogensMDE descriptor2D0
PaDELMDEN-33Molecular distance edge between all tertiary nitrogensMDE descriptor2D0
PaDELMLFER_AOverall or summation solute hydrogen bond acidityMLFER descriptor2D0.003
PaDELMLFER_BHOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.49
PaDELMLFER_BOOverall or summation solute hydrogen bond basicityMLFER descriptor2D0.478
PaDELMLFER_SCombined dipolarity/polarizabilityMLFER descriptor2D1.06
PaDELMLFER_EExcessive molar refractionMLFER descriptor2D0.848
PaDELMLFER_LSolute gas-hexadecane partition coefficientMLFER descriptor2D6.422
PaDELMPC2Molecular path count of order 2Path Count descriptor2D17
PaDELMPC3Molecular path count of order 3Path Count descriptor2D18
PaDELMPC4Molecular path count of order 4Path Count descriptor2D19
PaDELMPC5Molecular path count of order 5Path Count descriptor2D20
PaDELMPC6Molecular path count of order 6Path Count descriptor2D16
PaDELMPC7Molecular path count of order 7Path Count descriptor2D14
PaDELMPC8Molecular path count of order 8Path Count descriptor2D10
PaDELMPC9Molecular path count of order 9Path Count descriptor2D8
PaDELMPC10Molecular path count of order 10Path Count descriptor2D6
PaDELTPCTotal path count (up to order 10)Path Count descriptor2D156
PaDELpiPC1Conventional bond order ID number of order 1Path Count descriptor2D2.996
PaDELpiPC2Conventional bond order ID number of order 2Path Count descriptor2D3.401
PaDELpiPC3Conventional bond order ID number of order 3Path Count descriptor2D3.738
PaDELpiPC4Conventional bond order ID number of order 4Path Count descriptor2D4.007
PaDELpiPC5Conventional bond order ID number of order 5Path Count descriptor2D4.382
PaDELpiPC6Conventional bond order ID number of order 6Path Count descriptor2D4.174
PaDELpiPC7Conventional bond order ID number of order 7Path Count descriptor2D4.263
PaDELpiPC8Conventional bond order ID number of order 8Path Count descriptor2D3.892
PaDELpiPC9Conventional bond order ID number of order 9Path Count descriptor2D3.97
PaDELpiPC10Conventional bond order ID number of order 10Path Count descriptor2D4.043
PaDELTpiPCTotal conventional bond orderPath Count descriptor2D6.267
PaDELR_TpiPCTPCRatio of total conventional bond order (up to order 10) with total path count (up to order 10)Path Count descriptor2D3.372
PaDELPetitjeanNumberPetitjean numberPetitjean Number descriptor2D0.444
PaDELnRingNumber of ringsRing Count descriptor2D1
PaDELn3RingNumber of 3-membered ringsRing Count descriptor2D0
PaDELn4RingNumber of 4-membered ringsRing Count descriptor2D0
PaDELn5RingNumber of 5-membered ringsRing Count descriptor2D0
PaDELn6RingNumber of 6-membered ringsRing Count descriptor2D1
PaDELn7RingNumber of 7-membered ringsRing Count descriptor2D0
PaDELn8RingNumber of 8-membered ringsRing Count descriptor2D0
PaDELn9RingNumber of 9-membered ringsRing Count descriptor2D0
PaDELn10RingNumber of 10-membered ringsRing Count descriptor2D0
PaDELn11RingNumber of 11-membered ringsRing Count descriptor2D0
PaDELn12RingNumber of 12-membered ringsRing Count descriptor2D0
PaDELnG12RingNumber of >12-membered ringsRing Count descriptor2D0
PaDELnFRingNumber of fused ringsRing Count descriptor2D0
PaDELnF4RingNumber of 4-membered fused ringsRing Count descriptor2D0
PaDELnF5RingNumber of 5-membered fused ringsRing Count descriptor2D0
PaDELnF6RingNumber of 6-membered fused ringsRing Count descriptor2D0
PaDELnF7RingNumber of 7-membered fused ringsRing Count descriptor2D0
PaDELnF8RingNumber of 8-membered fused ringsRing Count descriptor2D0
PaDELnF9RingNumber of 9-membered fused ringsRing Count descriptor2D0
PaDELnF10RingNumber of 10-membered fused ringsRing Count descriptor2D0
PaDELnF11RingNumber of 11-membered fused ringsRing Count descriptor2D0
PaDELnF12RingNumber of 12-membered fused ringsRing Count descriptor2D0
PaDELnFG12RingNumber of >12-membered fused ringsRing Count descriptor2D0
PaDELnTRingNumber of rings (includes counts from fused rings)Ring Count descriptor2D1
PaDELnT4RingNumber of 4-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT5RingNumber of 5-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT6RingNumber of 6-membered rings (includes counts from fused rings)Ring Count descriptor2D1
PaDELnT7RingNumber of 7-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT8RingNumber of 8-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT9RingNumber of 9-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT10RingNumber of 10-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT11RingNumber of 11-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnT12RingNumber of 12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnTG12RingNumber of >12-membered rings (includes counts from fused rings)Ring Count descriptor2D0
PaDELnHeteroRingNumber of rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn3HeteroRingNumber of 3-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn4HeteroRingNumber of 4-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn5HeteroRingNumber of 5-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn6HeteroRingNumber of 6-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn7HeteroRingNumber of 7-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn8HeteroRingNumber of 8-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn9HeteroRingNumber of 9-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn10HeteroRingNumber of 10-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn11HeteroRingNumber of 11-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELn12HeteroRingNumber of 12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnG12HeteroRingNumber of >12-membered rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFHeteroRingNumber of fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF4HeteroRingNumber of 4-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF5HeteroRingNumber of 5-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF6HeteroRingNumber of 6-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF7HeteroRingNumber of 7-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF8HeteroRingNumber of 8-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF9HeteroRingNumber of 9-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF10HeteroRingNumber of 10-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF11HeteroRingNumber of 11-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnF12HeteroRingNumber of 12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnFG12HeteroRingNumber of >12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTHeteroRingNumber of rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT4HeteroRingNumber of 4-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT5HeteroRingNumber of 5-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT6HeteroRingNumber of 6-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT7HeteroRingNumber of 7-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT8HeteroRingNumber of 8-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT9HeteroRingNumber of 9-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT10HeteroRingNumber of 10-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT11HeteroRingNumber of 11-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnT12HeteroRingNumber of 12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnTG12HeteroRingNumber of >12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)Ring Count descriptor2D0
PaDELnRotBNumber of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D4
PaDELRotBFracFraction of rotatable bonds, excluding terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.286
PaDELnRotBtNumber of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D6
PaDELRotBtFracFraction of rotatable bonds, including terminal bondsPaDEL Rotatable Bonds Count descriptor2D0.429
PaDELLipinskiFailuresNumber failures of the Lipinski's Rule Of 5Rule Of Five descriptor2D0
PaDELtopoRadiusTopological radius (minimum atom eccentricity)Topological descriptor2D5
PaDELtopoDiameterTopological diameterTopological descriptor2D9
PaDELtopoShapePetitjean topological shape indexTopological descriptor2D0.8
PaDELGGI1Topological charge index of order 1Topological Charge descriptor2D2.5
PaDELGGI2Topological charge index of order 2Topological Charge descriptor2D1.333
PaDELGGI3Topological charge index of order 3Topological Charge descriptor2D0.688
PaDELGGI4Topological charge index of order 4Topological Charge descriptor2D0.271
PaDELGGI5Topological charge index of order 5Topological Charge descriptor2D0.264
PaDELGGI6Topological charge index of order 6Topological Charge descriptor2D0.142
PaDELGGI7Topological charge index of order 7Topological Charge descriptor2D0.106
PaDELGGI8Topological charge index of order 8Topological Charge descriptor2D0.054
PaDELGGI9Topological charge index of order 9Topological Charge descriptor2D0.031
PaDELGGI10Topological charge index of order 10Topological Charge descriptor2D0
PaDELJGI1Mean topological charge index of order 1Topological Charge descriptor2D0.179
PaDELJGI2Mean topological charge index of order 2Topological Charge descriptor2D0.078
PaDELJGI3Mean topological charge index of order 3Topological Charge descriptor2D0.046
PaDELJGI4Mean topological charge index of order 4Topological Charge descriptor2D0.023
PaDELJGI5Mean topological charge index of order 5Topological Charge descriptor2D0.026
PaDELJGI6Mean topological charge index of order 6Topological Charge descriptor2D0.016
PaDELJGI7Mean topological charge index of order 7Topological Charge descriptor2D0.015
PaDELJGI8Mean topological charge index of order 8Topological Charge descriptor2D0.011
PaDELJGI9Mean topological charge index of order 9Topological Charge descriptor2D0.016
PaDELJGI10Mean topological charge index of order 10Topological Charge descriptor2D0
PaDELJGTGlobal topological charge indexTopological Charge descriptor2D0.409
PaDELSpMax_DLeading eigenvalue from topological distance matrixTopological Distance Matrix descriptor2D52.028
PaDELSpDiam_DSpectral diameter from topological distance matrixTopological Distance Matrix descriptor2D80.264
PaDELSpAD_DSpectral absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D104.057
PaDELSpMAD_DSpectral mean absolute deviation from topological distance matrixTopological Distance Matrix descriptor2D7.433
PaDELEE_DEstrada-like index from topological distance matrixTopological Distance Matrix descriptor2D52.028
PaDELVE1_DCoefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.155
PaDELVE2_DAverage coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D0.011
PaDELVE3_DLogarithmic coefficient sum of the last eigenvector from topological distance matrixTopological Distance Matrix descriptor2D-2.609
PaDELVR1_DRandic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D87.522
PaDELVR2_DNormalized Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D6.252
PaDELVR3_DLogarithmic Randic-like eigenvector-based index from topological distance matrixTopological Distance Matrix descriptor2D6.261
PaDELTopoPSATopological polar surface areaTPSA descriptor2D26.3
PaDELVABCVan der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, Andreas M., Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds, The Journal of Organic Chemistry, 2003, 68:7368-7373]VABC descriptor2D197.25
PaDELVAdjMatVertex adjacency information (magnitude)VAdjMa descriptor2D4.807
PaDELMWC2Molecular walk count of order 2WalkCount descriptor2D4.143
PaDELMWC3Molecular walk count of order 3WalkCount descriptor2D4.89
PaDELMWC4Molecular walk count of order 4WalkCount descriptor2D5.68
PaDELMWC5Molecular walk count of order 5WalkCount descriptor2D6.45
PaDELMWC6Molecular walk count of order 6WalkCount descriptor2D7.246
PaDELMWC7Molecular walk count of order 7WalkCount descriptor2D8.026
PaDELMWC8Molecular walk count of order 8WalkCount descriptor2D8.825
PaDELMWC9Molecular walk count of order 9WalkCount descriptor2D9.611
PaDELMWC10Molecular walk count of order 10WalkCount descriptor2D10.411
PaDELTWCTotal walk count (up to order 10)WalkCount descriptor2D93.284
PaDELSRW2Self-returning walk count of order 2WalkCount descriptor2D3.367
PaDELSRW3Self-returning walk count of order 3WalkCount descriptor2D0
PaDELSRW4Self-returning walk count of order 4WalkCount descriptor2D4.575
PaDELSRW5Self-returning walk count of order 5WalkCount descriptor2D0
PaDELSRW6Self-returning walk count of order 6WalkCount descriptor2D5.964
PaDELSRW7Self-returning walk count of order 7WalkCount descriptor2D0
PaDELSRW8Self-returning walk count of order 8WalkCount descriptor2D7.432
PaDELSRW9Self-returning walk count of order 9WalkCount descriptor2D0
PaDELSRW10Self-returning walk count of order 10WalkCount descriptor2D8.942
PaDELTSRWTotal self-return walk countWalkCount descriptor2D9.197
PaDELMWMolecular weightPaDEL Weight descriptor2D190.099
PaDELAMWAverage molecular weight (Molecular weight / Total number of atoms)PaDEL Weight descriptor2D6.789
PaDELWTPT-1Molecular IDPaDEL Weighted Path descriptor2D27.359
PaDELWTPT-2Molecular ID / number of atomsPaDEL Weighted Path descriptor2D1.954
PaDELWTPT-3Sum of path lengths starting from heteroatomsPaDEL Weighted Path descriptor2D5.504
PaDELWTPT-4Sum of path lengths starting from oxygensPaDEL Weighted Path descriptor2D5.504
PaDELWTPT-5Sum of path lengths starting from nitrogensPaDEL Weighted Path descriptor2D0
PaDELWPATHWeiner path numberWiener Numbers descriptor2D352
PaDELWPOLWeiner polarity numberWiener Numbers descriptor2D15
PaDELXLogPXLogPXLogP descriptor2D2.504
PaDELZagrebSum of the squares of atom degree over all heavy atoms iZagreb Index descriptor2D62
PaDELTDB1u3D topological distance based autocorrelation - lag 1 / unweightedAuto correlation 3D descriptor3D1.248
PaDELTDB2u3D topological distance based autocorrelation - lag 2 / unweightedAuto correlation 3D descriptor3D2.191
PaDELTDB3u3D topological distance based autocorrelation - lag 3 / unweightedAuto correlation 3D descriptor3D3.083
PaDELTDB4u3D topological distance based autocorrelation - lag 4 / unweightedAuto correlation 3D descriptor3D3.87
PaDELTDB5u3D topological distance based autocorrelation - lag 5 / unweightedAuto correlation 3D descriptor3D4.824
PaDELTDB6u3D topological distance based autocorrelation - lag 6 / unweightedAuto correlation 3D descriptor3D5.878
PaDELTDB7u3D topological distance based autocorrelation - lag 7 / unweightedAuto correlation 3D descriptor3D6.738
PaDELTDB8u3D topological distance based autocorrelation - lag 8 / unweightedAuto correlation 3D descriptor3D7.608
PaDELTDB9u3D topological distance based autocorrelation - lag 9 / unweightedAuto correlation 3D descriptor3D8.153
PaDELTDB10u3D topological distance based autocorrelation - lag 10 / unweightedAuto correlation 3D descriptor3D9.251
PaDELTDB1m3D topological distance based autocorrelation - lag 1 / weighted by massAuto correlation 3D descriptor3D114.858
PaDELTDB2m3D topological distance based autocorrelation - lag 2 / weighted by massAuto correlation 3D descriptor3D155.388
PaDELTDB3m3D topological distance based autocorrelation - lag 3 / weighted by massAuto correlation 3D descriptor3D176.529
PaDELTDB4m3D topological distance based autocorrelation - lag 4 / weighted by massAuto correlation 3D descriptor3D184.325
PaDELTDB5m3D topological distance based autocorrelation - lag 5 / weighted by massAuto correlation 3D descriptor3D231.494
PaDELTDB6m3D topological distance based autocorrelation - lag 6 / weighted by massAuto correlation 3D descriptor3D329.449
PaDELTDB7m3D topological distance based autocorrelation - lag 7 / weighted by massAuto correlation 3D descriptor3D271.991
PaDELTDB8m3D topological distance based autocorrelation - lag 8 / weighted by massAuto correlation 3D descriptor3D269.629
PaDELTDB9m3D topological distance based autocorrelation - lag 9 / weighted by massAuto correlation 3D descriptor3D139.085
PaDELTDB10m3D topological distance based autocorrelation - lag 10 / weighted by massAuto correlation 3D descriptor3D50.725
PaDELTDB1v3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumesAuto correlation 3D descriptor3D343
PaDELTDB2v3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumesAuto correlation 3D descriptor3D473.725
PaDELTDB3v3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumesAuto correlation 3D descriptor3D574.924
PaDELTDB4v3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumesAuto correlation 3D descriptor3D555.726
PaDELTDB5v3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumesAuto correlation 3D descriptor3D741.31
PaDELTDB6v3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1137.05
PaDELTDB7v3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1106.49
PaDELTDB8v3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumesAuto correlation 3D descriptor3D1228.148
PaDELTDB9v3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumesAuto correlation 3D descriptor3D858.594
PaDELTDB10v3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumesAuto correlation 3D descriptor3D599.261
PaDELTDB1e3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D9.54
PaDELTDB2e3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D16.751
PaDELTDB3e3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D23.257
PaDELTDB4e3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D29.558
PaDELTDB5e3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D38.17
PaDELTDB6e3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D44.26
PaDELTDB7e3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D50.762
PaDELTDB8e3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D54.341
PaDELTDB9e3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D57.084
PaDELTDB10e3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativitiesAuto correlation 3D descriptor3D63.643
PaDELTDB1p3D topological distance based autocorrelation - lag 1 / weighted by polarizabilitiesAuto correlation 3D descriptor3D2.36
PaDELTDB2p3D topological distance based autocorrelation - lag 2 / weighted by polarizabilitiesAuto correlation 3D descriptor3D3.378
PaDELTDB3p3D topological distance based autocorrelation - lag 3 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.259
PaDELTDB4p3D topological distance based autocorrelation - lag 4 / weighted by polarizabilitiesAuto correlation 3D descriptor3D4.096
PaDELTDB5p3D topological distance based autocorrelation - lag 5 / weighted by polarizabilitiesAuto correlation 3D descriptor3D5.299
PaDELTDB6p3D topological distance based autocorrelation - lag 6 / weighted by polarizabilitiesAuto correlation 3D descriptor3D8.464
PaDELTDB7p3D topological distance based autocorrelation - lag 7 / weighted by polarizabilitiesAuto correlation 3D descriptor3D8.625
PaDELTDB8p3D topological distance based autocorrelation - lag 8 / weighted by polarizabilitiesAuto correlation 3D descriptor3D10.177
PaDELTDB9p3D topological distance based autocorrelation - lag 9 / weighted by polarizabilitiesAuto correlation 3D descriptor3D8.024
PaDELTDB10p3D topological distance based autocorrelation - lag 10 / weighted by polarizabilitiesAuto correlation 3D descriptor3D6.606
PaDELTDB1i3D topological distance based autocorrelation - lag 1 / weighted by first ionization potentialAuto correlation 3D descriptor3D176.456
PaDELTDB2i3D topological distance based autocorrelation - lag 2 / weighted by first ionization potentialAuto correlation 3D descriptor3D330.291
PaDELTDB3i3D topological distance based autocorrelation - lag 3 / weighted by first ionization potentialAuto correlation 3D descriptor3D468.058
PaDELTDB4i3D topological distance based autocorrelation - lag 4 / weighted by first ionization potentialAuto correlation 3D descriptor3D631.221
PaDELTDB5i3D topological distance based autocorrelation - lag 5 / weighted by first ionization potentialAuto correlation 3D descriptor3D800.291
PaDELTDB6i3D topological distance based autocorrelation - lag 6 / weighted by first ionization potentialAuto correlation 3D descriptor3D893.039
PaDELTDB7i3D topological distance based autocorrelation - lag 7 / weighted by first ionization potentialAuto correlation 3D descriptor3D1063.415
PaDELTDB8i3D topological distance based autocorrelation - lag 8 / weighted by first ionization potentialAuto correlation 3D descriptor3D1160.013
PaDELTDB9i3D topological distance based autocorrelation - lag 9 / weighted by first ionization potentialAuto correlation 3D descriptor3D1328.174
PaDELTDB10i3D topological distance based autocorrelation - lag 10 / weighted by first ionization potentialAuto correlation 3D descriptor3D1592.287
PaDELTDB1s3D topological distance based autocorrelation - lag 1 / weighted by I-stateAuto correlation 3D descriptor3D4.063
PaDELTDB2s3D topological distance based autocorrelation - lag 2 / weighted by I-stateAuto correlation 3D descriptor3D7.247
PaDELTDB3s3D topological distance based autocorrelation - lag 3 / weighted by I-stateAuto correlation 3D descriptor3D9.329
PaDELTDB4s3D topological distance based autocorrelation - lag 4 / weighted by I-stateAuto correlation 3D descriptor3D12.131
PaDELTDB5s3D topological distance based autocorrelation - lag 5 / weighted by I-stateAuto correlation 3D descriptor3D15.561
PaDELTDB6s3D topological distance based autocorrelation - lag 6 / weighted by I-stateAuto correlation 3D descriptor3D18.642
PaDELTDB7s3D topological distance based autocorrelation - lag 7 / weighted by I-stateAuto correlation 3D descriptor3D19.987
PaDELTDB8s3D topological distance based autocorrelation - lag 8 / weighted by I-stateAuto correlation 3D descriptor3D16.669
PaDELTDB9s3D topological distance based autocorrelation - lag 9 / weighted by I-stateAuto correlation 3D descriptor3D14.355
PaDELTDB10s3D topological distance based autocorrelation - lag 10 / weighted by I-stateAuto correlation 3D descriptor3D12.977
PaDELTDB1r3D topological distance based autocorrelation - lag 1 / weighted by covalent radiusAuto correlation 3D descriptor3D0.515
PaDELTDB2r3D topological distance based autocorrelation - lag 2 / weighted by covalent radiusAuto correlation 3D descriptor3D0.754
PaDELTDB3r3D topological distance based autocorrelation - lag 3 / weighted by covalent radiusAuto correlation 3D descriptor3D0.972
PaDELTDB4r3D topological distance based autocorrelation - lag 4 / weighted by covalent radiusAuto correlation 3D descriptor3D1.008
PaDELTDB5r3D topological distance based autocorrelation - lag 5 / weighted by covalent radiusAuto correlation 3D descriptor3D1.297
PaDELTDB6r3D topological distance based autocorrelation - lag 6 / weighted by covalent radiusAuto correlation 3D descriptor3D1.88
PaDELTDB7r3D topological distance based autocorrelation - lag 7 / weighted by covalent radiusAuto correlation 3D descriptor3D1.908
PaDELTDB8r3D topological distance based autocorrelation - lag 8 / weighted by covalent radiusAuto correlation 3D descriptor3D2.145
PaDELTDB9r3D topological distance based autocorrelation - lag 9 / weighted by covalent radiusAuto correlation 3D descriptor3D1.728
PaDELTDB10r3D topological distance based autocorrelation - lag 10 / weighted by covalent radiusAuto correlation 3D descriptor3D1.46
PaDELPPSA-1Partial positive surface area -- sum of surface area on positive parts of moleculeCPSA descriptor3D366.274
PaDELPPSA-2Partial positive surface area * total positive charge on the moleculeCPSA descriptor3D393.823
PaDELPPSA-3Charge weighted partial positive surface areaCPSA descriptor3D23.372
PaDELPNSA-1Partial negative surface area -- sum of surface area on negative parts of moleculeCPSA descriptor3D164.355
PaDELPNSA-2Partial negative surface area * total negative charge on the moleculeCPSA descriptor3D-176.717
PaDELPNSA-3Charge weighted partial negative surface areaCPSA descriptor3D-17.778
PaDELDPSA-1Difference of PPSA-1 and PNSA-1CPSA descriptor3D201.919
PaDELDPSA-2Difference of FPSA-2 and PNSA-2CPSA descriptor3D570.54
PaDELDPSA-3Difference of PPSA-3 and PNSA-3CPSA descriptor3D41.15
PaDELFPSA-1PPSA-1 / total molecular surface areaCPSA descriptor3D0.69
PaDELFPSA-2PPSA-2 / total molecular surface areaCPSA descriptor3D0.742
PaDELFPSA-3PPSA-3 / total molecular surface areaCPSA descriptor3D0.044
PaDELFNSA-1PNSA-1 / total molecular surface areaCPSA descriptor3D0.31
PaDELFNSA-2PNSA-2 / total molecular surface areaCPSA descriptor3D-0.333
PaDELFNSA-3PNSA-3 / total molecular surface areaCPSA descriptor3D-0.034
PaDELWPSA-1PPSA-1 * total molecular surface area / 1000CPSA descriptor3D194.355
PaDELWPSA-2PPSA-2 * total molecular surface area /1000CPSA descriptor3D208.974
PaDELWPSA-3PPSA-3 * total molecular surface area / 1000CPSA descriptor3D12.402
PaDELWNSA-1PNSA-1 * total molecular surface area /1000CPSA descriptor3D87.211
PaDELWNSA-2PNSA-2 * total molecular surface area / 1000CPSA descriptor3D-93.771
PaDELWNSA-3PNSA-3 * total molecular surface area / 1000CPSA descriptor3D-9.433
PaDELRPCGRelative positive charge -- most positive charge / total positive chargeCPSA descriptor3D0.273
PaDELRNCGRelative negative charge -- most negative charge / total negative chargeCPSA descriptor3D0.286
PaDELRPCSRelative positive charge surface area -- most positive surface area * RPCGCPSA descriptor3D6.782
PaDELRNCSRelative negative charge surface area -- most negative surface area * RNCGCPSA descriptor3D1.752
PaDELTHSASum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2CPSA descriptor3D464.205
PaDELTPSATopological polar surface areaMolecular property descriptor2D66.424
PaDELRHSATHSA / total molecular surface areaCPSA descriptor3D0.875
PaDELRPSATPSA / total molecular surface areaCPSA descriptor3D0.125
PaDELGRAV-1Gravitational index of heavy atomsGravitational Index descriptor3D1110.837
PaDELGRAV-2Square root of gravitational index of heavy atomsGravitational Index descriptor3D33.329
PaDELGRAV-3Cube root of gravitational index of heavy atomsGravitational Index descriptor3D10.357
PaDELGRAVH-1Gravitational index - hydrogens includedGravitational Index descriptor3D1251.957
PaDELGRAVH-2Square root of hydrogen-included gravitational indexGravitational Index descriptor3D35.383
PaDELGRAVH-3Cube root of hydrogen-included gravitational indexGravitational Index descriptor3D10.778
PaDELGRAV-4Gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D2048.188
PaDELGRAV-5Square root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D45.257
PaDELGRAV-6Cube root of gravitational index of all pairs of atoms (not just bonded pairs)Gravitational Index descriptor3D12.7
PaDELLOBMAXThe maximum L/B ratioLength Over Breadth descriptor3D1.888
PaDELLOBMINThe L/B ratio for the rotation that results in the minimum areaLength Over Breadth descriptor3D1.888
PaDELMOMI-XMoment of inertia along X axisMoment Of Inertia descriptor3D2022.785
PaDELMOMI-YMoment of inertia along Y axisMoment Of Inertia descriptor3D1830.494
PaDELMOMI-ZMoment of inertia along Z axisMoment Of Inertia descriptor3D306.457
PaDELMOMI-XYX/YMoment Of Inertia descriptor3D1.105
PaDELMOMI-XZX/ZMoment Of Inertia descriptor3D6.601
PaDELMOMI-YZY/ZMoment Of Inertia descriptor3D5.973
PaDELMOMI-RRadius of gyrationMoment Of Inertia descriptor3D5.872
PaDELgeomRadiusGeometrical radius (minimum geometric eccentricity)PaDEL Petitjean Shape Index descriptor3D5.949
PaDELgeomDiameterGeometrical diameterPaDEL Petitjean Shape Index descriptor3D11.128
PaDELgeomShapePetitjean geometric shape indexPaDEL Petitjean Shape Index descriptor3D0.87
PaDELRDF10uRadial distribution function - 010 / unweightedRDF descriptor3D6.118
PaDELRDF15uRadial distribution function - 015 / unweightedRDF descriptor3D6.565
PaDELRDF20uRadial distribution function - 020 / unweightedRDF descriptor3D4.518
PaDELRDF25uRadial distribution function - 025 / unweightedRDF descriptor3D16.087
PaDELRDF30uRadial distribution function - 030 / unweightedRDF descriptor3D1.175
PaDELRDF35uRadial distribution function - 035 / unweightedRDF descriptor3D12.669
PaDELRDF40uRadial distribution function - 040 / unweightedRDF descriptor3D8.39
PaDELRDF45uRadial distribution function - 045 / unweightedRDF descriptor3D7.881
PaDELRDF50uRadial distribution function - 050 / unweightedRDF descriptor3D8.316
PaDELRDF55uRadial distribution function - 055 / unweightedRDF descriptor3D4.519
PaDELRDF60uRadial distribution function - 060 / unweightedRDF descriptor3D10.184
PaDELRDF65uRadial distribution function - 065 / unweightedRDF descriptor3D5.832
PaDELRDF70uRadial distribution function - 070 / unweightedRDF descriptor3D8.407
PaDELRDF75uRadial distribution function - 075 / unweightedRDF descriptor3D2.167
PaDELRDF80uRadial distribution function - 080 / unweightedRDF descriptor3D7.267
PaDELRDF85uRadial distribution function - 085 / unweightedRDF descriptor3D2.622
PaDELRDF90uRadial distribution function - 090 / unweightedRDF descriptor3D6.516
PaDELRDF95uRadial distribution function - 095 / unweightedRDF descriptor3D1.699
PaDELRDF100uRadial distribution function - 100 / unweightedRDF descriptor3D4.187
PaDELRDF105uRadial distribution function - 105 / unweightedRDF descriptor3D1.447
PaDELRDF110uRadial distribution function - 110 / unweightedRDF descriptor3D1.195
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 descriptor3D0.523
PaDELRDF15mRadial distribution function - 015 / weighted by relative massRDF descriptor3D6.791
PaDELRDF20mRadial distribution function - 020 / weighted by relative massRDF descriptor3D0.362
PaDELRDF25mRadial distribution function - 025 / weighted by relative massRDF descriptor3D9.097
PaDELRDF30mRadial distribution function - 030 / weighted by relative massRDF descriptor3D0.531
PaDELRDF35mRadial distribution function - 035 / weighted by relative massRDF descriptor3D4.051
PaDELRDF40mRadial distribution function - 040 / weighted by relative massRDF descriptor3D2.165
PaDELRDF45mRadial distribution function - 045 / weighted by relative massRDF descriptor3D0.573
PaDELRDF50mRadial distribution function - 050 / weighted by relative massRDF descriptor3D2.351
PaDELRDF55mRadial distribution function - 055 / weighted by relative massRDF descriptor3D1.547
PaDELRDF60mRadial distribution function - 060 / weighted by relative massRDF descriptor3D3.477
PaDELRDF65mRadial distribution function - 065 / weighted by relative massRDF descriptor3D0.817
PaDELRDF70mRadial distribution function - 070 / weighted by relative massRDF descriptor3D3.925
PaDELRDF75mRadial distribution function - 075 / weighted by relative massRDF descriptor3D1.357
PaDELRDF80mRadial distribution function - 080 / weighted by relative massRDF descriptor3D1.047
PaDELRDF85mRadial distribution function - 085 / weighted by relative massRDF descriptor3D0.258
PaDELRDF90mRadial distribution function - 090 / weighted by relative massRDF descriptor3D1
PaDELRDF95mRadial distribution function - 095 / weighted by relative massRDF descriptor3D0.116
PaDELRDF100mRadial distribution function - 100 / weighted by relative massRDF descriptor3D0.17
PaDELRDF105mRadial distribution function - 105 / weighted by relative massRDF descriptor3D0.01
PaDELRDF110mRadial distribution function - 110 / weighted by relative massRDF descriptor3D0.008
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 descriptor3D1.661
PaDELRDF15vRadial distribution function - 015 / weighted by relative van der Waals volumesRDF descriptor3D6.361
PaDELRDF20vRadial distribution function - 020 / weighted by relative van der Waals volumesRDF descriptor3D0.968
PaDELRDF25vRadial distribution function - 025 / weighted by relative van der Waals volumesRDF descriptor3D9.307
PaDELRDF30vRadial distribution function - 030 / weighted by relative van der Waals volumesRDF descriptor3D0.427
PaDELRDF35vRadial distribution function - 035 / weighted by relative van der Waals volumesRDF descriptor3D3.956
PaDELRDF40vRadial distribution function - 040 / weighted by relative van der Waals volumesRDF descriptor3D2.841
PaDELRDF45vRadial distribution function - 045 / weighted by relative van der Waals volumesRDF descriptor3D1.654
PaDELRDF50vRadial distribution function - 050 / weighted by relative van der Waals volumesRDF descriptor3D2.322
PaDELRDF55vRadial distribution function - 055 / weighted by relative van der Waals volumesRDF descriptor3D1.778
PaDELRDF60vRadial distribution function - 060 / weighted by relative van der Waals volumesRDF descriptor3D4.58
PaDELRDF65vRadial distribution function - 065 / weighted by relative van der Waals volumesRDF descriptor3D1.283
PaDELRDF70vRadial distribution function - 070 / weighted by relative van der Waals volumesRDF descriptor3D4.631
PaDELRDF75vRadial distribution function - 075 / weighted by relative van der Waals volumesRDF descriptor3D1.497
PaDELRDF80vRadial distribution function - 080 / weighted by relative van der Waals volumesRDF descriptor3D1.983
PaDELRDF85vRadial distribution function - 085 / weighted by relative van der Waals volumesRDF descriptor3D0.615
PaDELRDF90vRadial distribution function - 090 / weighted by relative van der Waals volumesRDF descriptor3D1.758
PaDELRDF95vRadial distribution function - 095 / weighted by relative van der Waals volumesRDF descriptor3D0.391
PaDELRDF100vRadial distribution function - 100 / weighted by relative van der Waals volumesRDF descriptor3D0.668
PaDELRDF105vRadial distribution function - 105 / weighted by relative van der Waals volumesRDF descriptor3D0.106
PaDELRDF110vRadial distribution function - 110 / weighted by relative van der Waals volumesRDF descriptor3D0.088
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 descriptor3D5.778
PaDELRDF15eRadial distribution function - 015 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.795
PaDELRDF20eRadial distribution function - 020 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.667
PaDELRDF25eRadial distribution function - 025 / weighted by relative Sanderson electronegativitiesRDF descriptor3D15.924
PaDELRDF30eRadial distribution function - 030 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.19
PaDELRDF35eRadial distribution function - 035 / weighted by relative Sanderson electronegativitiesRDF descriptor3D12.733
PaDELRDF40eRadial distribution function - 040 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.373
PaDELRDF45eRadial distribution function - 045 / weighted by relative Sanderson electronegativitiesRDF descriptor3D7.517
PaDELRDF50eRadial distribution function - 050 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.716
PaDELRDF55eRadial distribution function - 055 / weighted by relative Sanderson electronegativitiesRDF descriptor3D4.688
PaDELRDF60eRadial distribution function - 060 / weighted by relative Sanderson electronegativitiesRDF descriptor3D10.525
PaDELRDF65eRadial distribution function - 065 / weighted by relative Sanderson electronegativitiesRDF descriptor3D5.522
PaDELRDF70eRadial distribution function - 070 / weighted by relative Sanderson electronegativitiesRDF descriptor3D8.143
PaDELRDF75eRadial distribution function - 075 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.109
PaDELRDF80eRadial distribution function - 080 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.768
PaDELRDF85eRadial distribution function - 085 / weighted by relative Sanderson electronegativitiesRDF descriptor3D2.432
PaDELRDF90eRadial distribution function - 090 / weighted by relative Sanderson electronegativitiesRDF descriptor3D6.048
PaDELRDF95eRadial distribution function - 095 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.585
PaDELRDF100eRadial distribution function - 100 / weighted by relative Sanderson electronegativitiesRDF descriptor3D3.828
PaDELRDF105eRadial distribution function - 105 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.289
PaDELRDF110eRadial distribution function - 110 / weighted by relative Sanderson electronegativitiesRDF descriptor3D1.065
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 descriptor3D2.443
PaDELRDF15pRadial distribution function - 015 / weighted by relative polarizabilitiesRDF descriptor3D6.198
PaDELRDF20pRadial distribution function - 020 / weighted by relative polarizabilitiesRDF descriptor3D1.332
PaDELRDF25pRadial distribution function - 025 / weighted by relative polarizabilitiesRDF descriptor3D9.743
PaDELRDF30pRadial distribution function - 030 / weighted by relative polarizabilitiesRDF descriptor3D0.433
PaDELRDF35pRadial distribution function - 035 / weighted by relative polarizabilitiesRDF descriptor3D4.505
PaDELRDF40pRadial distribution function - 040 / weighted by relative polarizabilitiesRDF descriptor3D3.437
PaDELRDF45pRadial distribution function - 045 / weighted by relative polarizabilitiesRDF descriptor3D2.468
PaDELRDF50pRadial distribution function - 050 / weighted by relative polarizabilitiesRDF descriptor3D2.569
PaDELRDF55pRadial distribution function - 055 / weighted by relative polarizabilitiesRDF descriptor3D1.963
PaDELRDF60pRadial distribution function - 060 / weighted by relative polarizabilitiesRDF descriptor3D5.201
PaDELRDF65pRadial distribution function - 065 / weighted by relative polarizabilitiesRDF descriptor3D1.778
PaDELRDF70pRadial distribution function - 070 / weighted by relative polarizabilitiesRDF descriptor3D5.156
PaDELRDF75pRadial distribution function - 075 / weighted by relative polarizabilitiesRDF descriptor3D1.601
PaDELRDF80pRadial distribution function - 080 / weighted by relative polarizabilitiesRDF descriptor3D2.724
PaDELRDF85pRadial distribution function - 085 / weighted by relative polarizabilitiesRDF descriptor3D0.897
PaDELRDF90pRadial distribution function - 090 / weighted by relative polarizabilitiesRDF descriptor3D2.388
PaDELRDF95pRadial distribution function - 095 / weighted by relative polarizabilitiesRDF descriptor3D0.595
PaDELRDF100pRadial distribution function - 100 / weighted by relative polarizabilitiesRDF descriptor3D1.106
PaDELRDF105pRadial distribution function - 105 / weighted by relative polarizabilitiesRDF descriptor3D0.231
PaDELRDF110pRadial distribution function - 110 / weighted by relative polarizabilitiesRDF descriptor3D0.191
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 descriptor3D7.388
PaDELRDF15iRadial distribution function - 015 / weighted by relative first ionization potentialRDF descriptor3D6.713
PaDELRDF20iRadial distribution function - 020 / weighted by relative first ionization potentialRDF descriptor3D6
PaDELRDF25iRadial distribution function - 025 / weighted by relative first ionization potentialRDF descriptor3D19.412
PaDELRDF30iRadial distribution function - 030 / weighted by relative first ionization potentialRDF descriptor3D1.545
PaDELRDF35iRadial distribution function - 035 / weighted by relative first ionization potentialRDF descriptor3D16.176
PaDELRDF40iRadial distribution function - 040 / weighted by relative first ionization potentialRDF descriptor3D10.455
PaDELRDF45iRadial distribution function - 045 / weighted by relative first ionization potentialRDF descriptor3D10.261
PaDELRDF50iRadial distribution function - 050 / weighted by relative first ionization potentialRDF descriptor3D11.078
PaDELRDF55iRadial distribution function - 055 / weighted by relative first ionization potentialRDF descriptor3D5.767
PaDELRDF60iRadial distribution function - 060 / weighted by relative first ionization potentialRDF descriptor3D12.378
PaDELRDF65iRadial distribution function - 065 / weighted by relative first ionization potentialRDF descriptor3D7.67
PaDELRDF70iRadial distribution function - 070 / weighted by relative first ionization potentialRDF descriptor3D9.802
PaDELRDF75iRadial distribution function - 075 / weighted by relative first ionization potentialRDF descriptor3D2.395
PaDELRDF80iRadial distribution function - 080 / weighted by relative first ionization potentialRDF descriptor3D9.248
PaDELRDF85iRadial distribution function - 085 / weighted by relative first ionization potentialRDF descriptor3D3.372
PaDELRDF90iRadial distribution function - 090 / weighted by relative first ionization potentialRDF descriptor3D8.395
PaDELRDF95iRadial distribution function - 095 / weighted by relative first ionization potentialRDF descriptor3D2.139
PaDELRDF100iRadial distribution function - 100 / weighted by relative first ionization potentialRDF descriptor3D5.649
PaDELRDF105iRadial distribution function - 105 / weighted by relative first ionization potentialRDF descriptor3D2.11
PaDELRDF110iRadial distribution function - 110 / weighted by relative first ionization potentialRDF descriptor3D1.743
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 descriptor3D3.385
PaDELRDF15sRadial distribution function - 015 / weighted by relative I-stateRDF descriptor3D6.628
PaDELRDF20sRadial distribution function - 020 / weighted by relative I-stateRDF descriptor3D2.847
PaDELRDF25sRadial distribution function - 025 / weighted by relative I-stateRDF descriptor3D13.271
PaDELRDF30sRadial distribution function - 030 / weighted by relative I-stateRDF descriptor3D1.466
PaDELRDF35sRadial distribution function - 035 / weighted by relative I-stateRDF descriptor3D10.935
PaDELRDF40sRadial distribution function - 040 / weighted by relative I-stateRDF descriptor3D5.622
PaDELRDF45sRadial distribution function - 045 / weighted by relative I-stateRDF descriptor3D4.262
PaDELRDF50sRadial distribution function - 050 / weighted by relative I-stateRDF descriptor3D9.168
PaDELRDF55sRadial distribution function - 055 / weighted by relative I-stateRDF descriptor3D3.888
PaDELRDF60sRadial distribution function - 060 / weighted by relative I-stateRDF descriptor3D9.392
PaDELRDF65sRadial distribution function - 065 / weighted by relative I-stateRDF descriptor3D3.818
PaDELRDF70sRadial distribution function - 070 / weighted by relative I-stateRDF descriptor3D6.262
PaDELRDF75sRadial distribution function - 075 / weighted by relative I-stateRDF descriptor3D1.875
PaDELRDF80sRadial distribution function - 080 / weighted by relative I-stateRDF descriptor3D3.743
PaDELRDF85sRadial distribution function - 085 / weighted by relative I-stateRDF descriptor3D1.297
PaDELRDF90sRadial distribution function - 090 / weighted by relative I-stateRDF descriptor3D3.299
PaDELRDF95sRadial distribution function - 095 / weighted by relative I-stateRDF descriptor3D0.867
PaDELRDF100sRadial distribution function - 100 / weighted by relative I-stateRDF descriptor3D1.711
PaDELRDF105sRadial distribution function - 105 / weighted by relative I-stateRDF descriptor3D0.412
PaDELRDF110sRadial distribution function - 110 / weighted by relative I-stateRDF descriptor3D0.34
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 descriptor3D12.259
PaDELL2u2nd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D1.77
PaDELL3u3rd component size directional WHIM index / unweightedPaDEL WHIM descriptor3D0.726
PaDELP1u1st component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.831
PaDELP2u2nd component shape directional WHIM index / unweightedPaDEL WHIM descriptor3D0.12
PaDELE1u1st component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.621
PaDELE2u2nd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.476
PaDELE3u3rd component accessibility directional WHIM index / unweightedPaDEL WHIM descriptor3D0.331
PaDELTuT total size index / unweightedPaDEL WHIM descriptor3D14.755
PaDELAuA total size index / unweightedPaDEL WHIM descriptor3D31.884
PaDELVuV total size index / unweightedPaDEL WHIM descriptor3D62.39
PaDELKuK global shape index / unweightedPaDEL WHIM descriptor3D0.746
PaDELDuD total accessibility index / unweightedPaDEL WHIM descriptor3D1.428
PaDELL1m1st component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D9.659
PaDELL2m2nd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D1.354
PaDELL3m3rd component size directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.301
PaDELP1m1st component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.854
PaDELP2m2nd component shape directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.12
PaDELE1m1st component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.386
PaDELE2m2nd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.277
PaDELE3m3rd component accessibility directional WHIM index / weighted by relative massPaDEL WHIM descriptor3D0.055
PaDELTmT total size index / weighted by relative massPaDEL WHIM descriptor3D11.314
PaDELAmA total size index / weighted by relative massPaDEL WHIM descriptor3D16.395
PaDELVmV total size index / weighted by relative massPaDEL WHIM descriptor3D31.648
PaDELKmK global shape index / weighted by relative massPaDEL WHIM descriptor3D0.781
PaDELDmD total accessibility index / weighted by relative massPaDEL WHIM descriptor3D0.718
PaDELL1v1st component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D11.093
PaDELL2v2nd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D1.384
PaDELL3v3rd component size directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.456
PaDELP1v1st component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.858
PaDELP2v2nd component shape directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.107
PaDELE1v1st component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.509
PaDELE2v2nd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.29
PaDELE3v3rd component accessibility directional WHIM index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.127
PaDELTvT total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D12.933
PaDELAvA total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D21.043
PaDELVvV total size index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D40.978
PaDELKvK global shape index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.787
PaDELDvD total accessibility index / weighted by relative van der Waals volumesPaDEL WHIM descriptor3D0.926
PaDELL1e1st component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D11.911
PaDELL2e2nd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.784
PaDELL3e3rd component size directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.697
PaDELP1e1st component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.828
PaDELP2e2nd component shape directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.124
PaDELE1e1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.586
PaDELE2e2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.484
PaDELE3e3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.306
PaDELTeT total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D14.393
PaDELAeA total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D30.798
PaDELVeV total size index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D60.002
PaDELKeK global shape index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D0.741
PaDELDeD total accessibility index / weighted by relative Sanderson electronegativitiesPaDEL WHIM descriptor3D1.376
PaDELL1p1st component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D11.722
PaDELL2p2nd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.435
PaDELL3p3rd component size directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.539
PaDELP1p1st component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.856
PaDELP2p2nd component shape directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.105
PaDELE1p1st component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.568
PaDELE2p2nd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.312
PaDELE3p3rd component accessibility directional WHIM index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.177
PaDELTpT total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D13.696
PaDELApA total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D23.915
PaDELVpV total size index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D46.681
PaDELKpK global shape index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D0.784
PaDELDpD total accessibility index / weighted by relative polarizabilitiesPaDEL WHIM descriptor3D1.058
PaDELL1i1st component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D12.348
PaDELL2i2nd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.841
PaDELL3i3rd component size directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.763
PaDELP1i1st component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.826
PaDELP2i2nd component shape directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.123
PaDELE1i1st component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.63
PaDELE2i2nd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.515
PaDELE3i3rd component accessibility directional WHIM index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.367
PaDELTiT total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D14.951
PaDELAiA total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D33.554
PaDELViV total size index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D65.841
PaDELKiK global shape index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D0.739
PaDELDiD total accessibility index / weighted by relative first ionization potentialPaDEL WHIM descriptor3D1.513
PaDELL1s1st component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D12.024
PaDELL2s2nd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D1.798
PaDELL3s3rd component size directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.701
PaDELP1s1st component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.828
PaDELP2s2nd component shape directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.124
PaDELE1s1st component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.598
PaDELE2s2nd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.491
PaDELE3s3rd component accessibility directional WHIM index / weighted by relative I-statePaDEL WHIM descriptor3D0.31
PaDELTsT total size index / weighted by relative I-statePaDEL WHIM descriptor3D14.523
PaDELAsA total size index / weighted by relative I-statePaDEL WHIM descriptor3D31.317
PaDELVsV total size index / weighted by relative I-statePaDEL WHIM descriptor3D61.006
PaDELKsK global shape index / weighted by relative I-statePaDEL WHIM descriptor3D0.742
PaDELDsD total accessibility index / weighted by relative I-statePaDEL WHIM descriptor3D1.399
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.