Package qsardes.descriptor

package qsardes.descriptor

Related Packages

Package	Description
qsardes.descriptor.qsarme
qsardes.descriptor.qsarwb

Class	Description
Descriptor	Descriptor calculator classes interface.
DescriptorAcgc	Acidic groups count descriptors abstract class.
DescriptorAdjacencyMatrix	Adjacency distance matrix descriptors abstract class.
DescriptorAlogp	ALogP descriptors abstract class.
DescriptorApol	Atomic polarizabilities abstract class.
DescriptorAromAtomCount	Aromatic atoms count descriptors abstract class.
DescriptorAromBondCount	Aromatic bonds count descriptors abstract class.
DescriptorAtomCount	Atom count descriptors abstract class.
DescriptorAutocorrelation	Autocorrelation descriptors abstract class.
DescriptorBaryszMatrix	Barysz matrix descriptors abstract class.
DescriptorBasicGroupCount	Basic groups count descriptor abstract class.
DescriptorBcut	BCUT descriptors abstract class.
DescriptorBondCount	Bond count descriptors abstract class.
DescriptorBpol	Bonded atoms polarizabilities descriptor abstract class.
DescriptorBurdenModifiedEigenvalues	Burden modified eigenvalues descriptors abstract class.
DescriptorCarbonTypes	Carbon types descriptors abstract class.
DescriptorChiChain	Chi chain descriptors abstract class.
DescriptorChiCluster	Chi cluster descriptors abstract class.
DescriptorChiPath	Chi path descriptors abstract class.
DescriptorChiPathCluster	Chi path cluster descriptors abstract class.
DescriptorConstitutional	Constitutional descriptors abstract class.
DescriptorCrippen	Crippen LogP descriptors abstract class.
DescriptorDetourMatrix	Detour matrix descriptors abstract class.
DescriptorEccentricConnectIndex	Eccentric connectivity index descriptor abstract class.
DescriptorElectrTopolStateIndex	Electrotopological state index descriptors abstract class.
DescriptorExtendedTopochemIndex	Extended topochemical index descriptors abstract class.
DescriptorExtendedTopochemIndex.Eta	Stores eta values for extended topochemical index descriptors.
DescriptorFingerprintEstate	E-State fingerprints abstract class.
DescriptorFingerprintEstateCount	Kier and Hall fragment count fingerprints abstract class.
DescriptorFingerprintKlekotaRoth	Klekota and Roth fingerprints abstract class.
DescriptorFingerprintKlekotaRothCount	Klekota and Roth count fingerprints abstract class.
DescriptorFingerprintPubchem	Pubchem fingerprints abstract class.
DescriptorFingerprintSubstructure	Substructure fingerprints abstract class.
DescriptorFingerprintSubstructureCount	Substructure count fingerprints abstract class.
DescriptorFMF	FMF descriptor abstract class.
DescriptorFractionalCsp3	Fractional CSP3 descriptor abstract class.
DescriptorFractionalPsa	Fractional PSA descriptor abstract class.
DescriptorFragmentComplexity	Fragment complexity descriptor abstract class.
DescriptorHBondAcceptorsCount	Hydrogen bond acceptors count descriptors abstract class.
DescriptorHBondDonorsCount	Hydrogen bond donors count descriptors abstract class.
DescriptorHybridizationRatio	Hybridization ratio descriptor abstract class.
DescriptorInformationContent	Information content descriptors abstract class.
DescriptorJplogp	JPLogP descriptor abstract class.
DescriptorKappaShapeIndex	Kappa shape index descriptors abstract class.
DescriptorLargestChain	Largest chain descriptor abstract class.
DescriptorLargestPiSystem	Largest Pi system descriptor abstract class.
DescriptorLongestAliphaticChain	Longest aliphatic chain descriptor abstract class.
DescriptorMannholdLogp	Mannhold LogP descriptor abstract class.
DescriptorMlfer	Molecular linear free energy relation descriptors abstract class.
DescriptorMolecularDistanceEdge	Molecular distance edge descriptors abstract class.
DescriptorPathCount	Path count descriptors abstract class.
DescriptorPetitjeanNumber	Petitjean number descriptor abstract class.
DescriptorRingCount	Ring count descriptors abstract class.
DescriptorRotatableBondsCount	Rotatable bonds count descriptors abstract class.
DescriptorRuleOfFive	Rule of five descriptor abstract class.
DescriptorSpiroAtomCount	Spiro atom count descriptor abstract class.
DescriptorTopological	Topological descriptors abstract class.
DescriptorTopologicalCharge	Topological charge descriptors abstract class.
DescriptorTopologicalDistance	Topological distance matrix descriptor abstract class.
DescriptorTopologicalPolarSurfaceArea	Topological polar surface area descriptor abstract class.
DescriptorType	Descriptor type.
DescriptorVanDerWaalsVolume	Van der Waals volume descriptor abstract class.
DescriptorVertexAdjacencyMatrix	Vertex adjacency matrix descriptor abstract class.
DescriptorWalkCount	Walk count descriptors abstract class.
DescriptorWeight	Weight descriptors abstract class.
DescriptorWeightedPath	Weighted path descriptors abstract class.
DescriptorWienerNumbers	Wiener number descriptors abstract class.
DescriptorXlogp	XLogP descriptor abstract class.
DescriptorZagrebIndex	Zagreb index descriptor abstract class.