CONSTITUTATIONAL DESCRIPTORS 0: 1 joelib2.feature.types.count.NumberOfAtoms joelib2.feature.types.count.NumberOfAtoms 1: 1 joelib2.feature.types.count.NumberOfB joelib2.feature.types.count.NumberOfB 2: 1 joelib2.feature.types.count.NumberOfBr joelib2.feature.types.count.NumberOfBr 3: 1 joelib2.feature.types.count.NumberOfC joelib2.feature.types.count.NumberOfC 4: 1 joelib2.feature.types.count.NumberOfCl joelib2.feature.types.count.NumberOfCl 5: 1 joelib2.feature.types.count.NumberOfF joelib2.feature.types.count.NumberOfF 6: 1 joelib2.feature.types.count.NumberOfHal joelib2.feature.types.count.NumberOfHal 7: 1 joelib2.feature.types.count.NumberOfI joelib2.feature.types.count.NumberOfI 8: 1 joelib2.feature.types.count.NumberOfN joelib2.feature.types.count.NumberOfN 9: 1 joelib2.feature.types.count.NumberOfO joelib2.feature.types.count.NumberOfO 10: 1 joelib2.feature.types.count.NumberOfP joelib2.feature.types.count.NumberOfP 11: 1 joelib2.feature.types.count.NumberOfS joelib2.feature.types.count.NumberOfS 12: 1 joelib2.feature.types.FractionRotatableBonds joelib2.feature.types.FractionRotatableBonds 13: 1 joelib2.feature.types.count.NumberOfBonds joelib2.feature.types.count.NumberOfBonds 14: 1 joelib2.feature.types.count.HeavyBonds joelib2.feature.types.count.HeavyBonds 15: 1 joelib2.feature.types.count.AromaticBonds joelib2.feature.types.count.AromaticBonds 16: 1 joelib2.feature.types.MolecularWeight joelib2.feature.types.MolecularWeight 17: 1 joelib2.feature.types.count.HeteroCycles joelib2.feature.types.count.HeteroCycles => Number of Descriptors: 18 TOPOLOGICAL DESCRIPTORS 0: 1 joelib2.feature.types.KierShape1 joelib2.feature.types.KierShape1 1: 1 joelib2.feature.types.KierShape2 joelib2.feature.types.KierShape2 2: 1 joelib2.feature.types.KierShape3 joelib2.feature.types.KierShape3 3: 5 org.openscience.cdk.qsar.descriptors.molecular.WeightedPathDescriptor WTPT-1 WTPT-2 WTPT-3 WTPT-4 WTPT-5 4: 1 joelib2.feature.types.TopologicalDiameter joelib2.feature.types.TopologicalDiameter 5: 1 joelib2.feature.types.GraphShapeCoefficient joelib2.feature.types.GraphShapeCoefficient 6: 1 org.openscience.cdk.qsar.descriptors.molecular.ValenceCarbonConnectivityOrderZeroDescriptor chi0vC 7: 1 org.openscience.cdk.qsar.descriptors.molecular.ValenceCarbonConnectivityOrderOneDescriptor chi1vC 8: 1 org.openscience.cdk.qsar.descriptors.molecular.ZagrebIndexDescriptor Zagreb => Number of Descriptors: 13 CONNECTIVITY INDICES 0: 8 org.openscience.cdk.qsar.descriptors.molecular.ChiChainDescriptor SCH-3 SCH-4 SCH-5 SCH-6 VCH-3 VCH-4 VCH-5 VCH-6 1: 8 org.openscience.cdk.qsar.descriptors.molecular.ChiClusterDescriptor SC-3 SC-4 SC-5 SC-6 VC-3 VC-4 VC-5 VC-6 2: 16 org.openscience.cdk.qsar.descriptors.molecular.ChiPathDescriptor SP-0 SP-1 SP-2 SP-3 SP-4 SP-5 SP-6 SP-7 VP-8 VP-9 VP-10 VP-11 VP-12 VP-13 VP-14 VP-15 3: 6 org.openscience.cdk.qsar.descriptors.molecular.ChiPathClusterDescriptor SPC-4 SPC-5 SPC-6 VPC-4 VPC-5 VPC-6 4: 2 org.openscience.cdk.qsar.descriptors.molecular.WienerNumbersDescriptor WPATH WPOL 5: 1 org.openscience.cdk.qsar.descriptors.molecular.CarbonConnectivityOrderZeroDescriptor chi0C 6: 1 org.openscience.cdk.qsar.descriptors.molecular.CarbonConnectivityOrderOneDescriptor chi1C 7: 1 org.openscience.cdk.qsar.descriptors.molecular.EccentricConnectivityIndexDescriptor ECCEN 8: 1 org.openscience.cdk.qsar.descriptors.molecular.LongestAliphaticChainDescriptor nAtomLAC 9: 1 org.openscience.cdk.qsar.descriptors.molecular.LargestChainDescriptor nAtomLC 10: 1 org.openscience.cdk.qsar.descriptors.molecular.LargestPiSystemDescriptor nAtomP => Number of Descriptors: 46 2D-AUTOCORRELATION 0: 5 org.openscience.cdk.qsar.descriptors.molecular.AutocorrelationDescriptorCharge ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 1: 5 org.openscience.cdk.qsar.descriptors.molecular.AutocorrelationDescriptorMass ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 => Number of Descriptors: 10 TOPOLOGICAL CHARGES INDICES 0: 1 org.openscience.cdk.qsar.descriptors.molecular.BPolDescriptor bpol 1: 1 org.openscience.cdk.qsar.descriptors.molecular.APolDescriptor apol => Number of Descriptors: 2 GEOMETRICAL DESCRIPTORS 0: 9 org.openscience.cdk.qsar.descriptors.molecular.GravitationalIndexDescriptor GRAV-1 GRAV-2 GRAV-3 GRAVH-1 GRAVH-2 GRAVH-3 GRAV-4 GRAV-5 GRAV-6 1: 2 org.openscience.cdk.qsar.descriptors.molecular.LengthOverBreadthDescriptor LOBMAX LOBMIN 2: 7 org.openscience.cdk.qsar.descriptors.molecular.MomentOfInertiaDescriptor MOMI-X MOMI-Y MOMI-Z MOMI-XY MOMI-XZ MOMI-YZ MOMI-R 3: 1 joelib2.feature.types.GeometricalDiameter joelib2.feature.types.GeometricalDiameter 4: 1 joelib2.feature.types.GeometricalRadius joelib2.feature.types.GeometricalRadius => Number of Descriptors: 20 WHIM DESCRIPTORS 0: 17 org.openscience.cdk.qsar.descriptors.molecular.WHIMDescriptor Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity => Number of Descriptors: 17 FUNCTIONAL GROUPS 0: 1 joelib2.feature.types.count.HBA1 joelib2.feature.types.count.HBA1 1: 1 joelib2.feature.types.count.HBA2 joelib2.feature.types.count.HBA2 2: 1 joelib2.feature.types.count.HBD1 joelib2.feature.types.count.HBD1 3: 1 joelib2.feature.types.count.HBD2 joelib2.feature.types.count.HBD2 4: 1 joelib2.feature.types.count.AcidicGroups joelib2.feature.types.count.AcidicGroups 5: 1 joelib2.feature.types.count.BasicGroups joelib2.feature.types.count.BasicGroups 6: 1 joelib2.feature.types.count.HydrophobicGroups joelib2.feature.types.count.HydrophobicGroups 7: 1 joelib2.feature.types.count.AliphaticOHGroups joelib2.feature.types.count.AliphaticOHGroups 8: 1 joelib2.feature.types.count.AromaticOHGroups joelib2.feature.types.count.AromaticOHGroups 9: 1 joelib2.feature.types.count.NO2Groups joelib2.feature.types.count.NO2Groups 10: 1 joelib2.feature.types.count.OSOGroups joelib2.feature.types.count.OSOGroups 11: 1 joelib2.feature.types.count.SO2Groups joelib2.feature.types.count.SO2Groups 12: 1 joelib2.feature.types.count.SOGroups joelib2.feature.types.count.SOGroups => Number of Descriptors: 13 MOLECULAR PROPERTIES 0: 1 joelib2.feature.types.MolarRefractivity joelib2.feature.types.MolarRefractivity 1: 1 joelib2.feature.types.LogP joelib2.feature.types.LogP 2: 1 joelib2.feature.types.PolarSurfaceArea joelib2.feature.types.PolarSurfaceArea 3: 1 joelib2.feature.types.GlobalTopologicalChargeIndex joelib2.feature.types.GlobalTopologicalChargeIndex 4: 29 org.openscience.cdk.qsar.descriptors.molecular.CPSADescriptor PPSA-1 PPSA-2 PPSA-3 PNSA-1 PNSA-2 PNSA-3 DPSA-1 DPSA-2 DPSA-3 FPSA-1 FPSA-2 FPSA-3 FNSA-1 FNSA-2 FNSA-3 WPSA-1 WPSA-2 WPSA-3 WNSA-1 WNSA-2 WNSA-3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA 5: 1 org.openscience.cdk.qsar.descriptors.molecular.XLogPDescriptor XLogP 6: 1 org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor LipinksiFailures => Number of Descriptors: 35