Index

A B C D E F G H I K L M N O P Q R S T U V W X Y Z
All Classes and Interfaces|All Packages|Serialized Form

D

delta() - Method in record class qsardes.molecule.Molecule.IntrState

Returns the value of the delta record component.

delta_v() - Method in record class qsardes.molecule.Molecule.IntrState

Returns the value of the delta_v record component.

Descriptor - Interface in qsardes.descriptor

Descriptor calculator classes interface.

DESCRIPTOR - Enum constant in enum class qsardes.descriptor.DescriptorType

DescriptorAcgc - Class in qsardes.descriptor

Acidic groups count descriptors abstract class.

DescriptorAcgc(Object[]) - Constructor for class qsardes.descriptor.DescriptorAcgc

DescriptorAdjacencyMatrix - Class in qsardes.descriptor

Adjacency distance matrix descriptors abstract class.

DescriptorAdjacencyMatrix() - Constructor for class qsardes.descriptor.DescriptorAdjacencyMatrix

DescriptorAlogp - Class in qsardes.descriptor

ALogP descriptors abstract class.

DescriptorAlogp(Object[]) - Constructor for class qsardes.descriptor.DescriptorAlogp

DescriptorApol - Class in qsardes.descriptor

Atomic polarizabilities abstract class.

DescriptorApol(Object[]) - Constructor for class qsardes.descriptor.DescriptorApol

DescriptorAromAtomCount - Class in qsardes.descriptor

Aromatic atoms count descriptors abstract class.

DescriptorAromAtomCount(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorAromAtomCount

DescriptorAromBondCount - Class in qsardes.descriptor

Aromatic bonds count descriptors abstract class.

DescriptorAromBondCount(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorAromBondCount

DescriptorAtomCount - Class in qsardes.descriptor

Atom count descriptors abstract class.

DescriptorAtomCount() - Constructor for class qsardes.descriptor.DescriptorAtomCount

DescriptorAutocorrelation - Class in qsardes.descriptor

Autocorrelation descriptors abstract class.

DescriptorAutocorrelation() - Constructor for class qsardes.descriptor.DescriptorAutocorrelation

DescriptorBaryszMatrix - Class in qsardes.descriptor

Barysz matrix descriptors abstract class.

DescriptorBaryszMatrix() - Constructor for class qsardes.descriptor.DescriptorBaryszMatrix

DescriptorBasicGroupCount - Class in qsardes.descriptor

Basic groups count descriptor abstract class.

DescriptorBasicGroupCount(Object[]) - Constructor for class qsardes.descriptor.DescriptorBasicGroupCount

DescriptorBcut - Class in qsardes.descriptor

BCUT descriptors abstract class.

DescriptorBcut(Object[]) - Constructor for class qsardes.descriptor.DescriptorBcut

DescriptorBondCount - Class in qsardes.descriptor

Bond count descriptors abstract class.

DescriptorBondCount() - Constructor for class qsardes.descriptor.DescriptorBondCount

DescriptorBpol - Class in qsardes.descriptor

Bonded atoms polarizabilities descriptor abstract class.

DescriptorBpol(Object[]) - Constructor for class qsardes.descriptor.DescriptorBpol

DescriptorBurdenModifiedEigenvalues - Class in qsardes.descriptor

Burden modified eigenvalues descriptors abstract class.

DescriptorBurdenModifiedEigenvalues() - Constructor for class qsardes.descriptor.DescriptorBurdenModifiedEigenvalues

DescriptorCarbonTypes - Class in qsardes.descriptor

Carbon types descriptors abstract class.

DescriptorCarbonTypes(Object[]) - Constructor for class qsardes.descriptor.DescriptorCarbonTypes

DescriptorChiChain - Class in qsardes.descriptor

Chi chain descriptors abstract class.

DescriptorChiChain(Object[]) - Constructor for class qsardes.descriptor.DescriptorChiChain

DescriptorChiCluster - Class in qsardes.descriptor

Chi cluster descriptors abstract class.

DescriptorChiCluster(Object[]) - Constructor for class qsardes.descriptor.DescriptorChiCluster

DescriptorChiPath - Class in qsardes.descriptor

Chi path descriptors abstract class.

DescriptorChiPath() - Constructor for class qsardes.descriptor.DescriptorChiPath

DescriptorChiPathCluster - Class in qsardes.descriptor

Chi path cluster descriptors abstract class.

DescriptorChiPathCluster(Object[]) - Constructor for class qsardes.descriptor.DescriptorChiPathCluster

DescriptorConstitutional - Class in qsardes.descriptor

Constitutional descriptors abstract class.

DescriptorConstitutional() - Constructor for class qsardes.descriptor.DescriptorConstitutional

DescriptorCrippen - Class in qsardes.descriptor

Crippen LogP descriptors abstract class.

DescriptorCrippen() - Constructor for class qsardes.descriptor.DescriptorCrippen

DescriptorDetourMatrix - Class in qsardes.descriptor

Detour matrix descriptors abstract class.

DescriptorDetourMatrix() - Constructor for class qsardes.descriptor.DescriptorDetourMatrix

DescriptorEccentricConnectIndex - Class in qsardes.descriptor

Eccentric connectivity index descriptor abstract class.

DescriptorEccentricConnectIndex() - Constructor for class qsardes.descriptor.DescriptorEccentricConnectIndex

DescriptorElectrTopolStateIndex - Class in qsardes.descriptor

Electrotopological state index descriptors abstract class.

DescriptorElectrTopolStateIndex() - Constructor for class qsardes.descriptor.DescriptorElectrTopolStateIndex

DescriptorExtendedTopochemIndex - Class in qsardes.descriptor

Extended topochemical index descriptors abstract class.

DescriptorExtendedTopochemIndex() - Constructor for class qsardes.descriptor.DescriptorExtendedTopochemIndex

DescriptorExtendedTopochemIndex.Eta - Record Class in qsardes.descriptor

Stores eta values for extended topochemical index descriptors.

DescriptorFingerprintEstate - Class in qsardes.descriptor

E-State fingerprints abstract class.

DescriptorFingerprintEstate() - Constructor for class qsardes.descriptor.DescriptorFingerprintEstate

DescriptorFingerprintEstateCount - Class in qsardes.descriptor

Kier and Hall fragment count fingerprints abstract class.

DescriptorFingerprintEstateCount(Object[]) - Constructor for class qsardes.descriptor.DescriptorFingerprintEstateCount

DescriptorFingerprintKlekotaRoth - Class in qsardes.descriptor

Klekota and Roth fingerprints abstract class.

DescriptorFingerprintKlekotaRoth() - Constructor for class qsardes.descriptor.DescriptorFingerprintKlekotaRoth

DescriptorFingerprintKlekotaRothCount - Class in qsardes.descriptor

Klekota and Roth count fingerprints abstract class.

DescriptorFingerprintKlekotaRothCount() - Constructor for class qsardes.descriptor.DescriptorFingerprintKlekotaRothCount

DescriptorFingerprintPubchem - Class in qsardes.descriptor

Pubchem fingerprints abstract class.

DescriptorFingerprintPubchem() - Constructor for class qsardes.descriptor.DescriptorFingerprintPubchem

DescriptorFingerprintSubstructure - Class in qsardes.descriptor

Substructure fingerprints abstract class.

DescriptorFingerprintSubstructure() - Constructor for class qsardes.descriptor.DescriptorFingerprintSubstructure

DescriptorFingerprintSubstructureCount - Class in qsardes.descriptor

Substructure count fingerprints abstract class.

DescriptorFingerprintSubstructureCount() - Constructor for class qsardes.descriptor.DescriptorFingerprintSubstructureCount

DescriptorFMF - Class in qsardes.descriptor

FMF descriptor abstract class.

DescriptorFMF(Object[]) - Constructor for class qsardes.descriptor.DescriptorFMF

DescriptorFractionalCsp3 - Class in qsardes.descriptor

Fractional CSP3 descriptor abstract class.

DescriptorFractionalCsp3(Object[]) - Constructor for class qsardes.descriptor.DescriptorFractionalCsp3

DescriptorFractionalPsa - Class in qsardes.descriptor

Fractional PSA descriptor abstract class.

DescriptorFractionalPsa(Object[]) - Constructor for class qsardes.descriptor.DescriptorFractionalPsa

DescriptorFragmentComplexity - Class in qsardes.descriptor

Fragment complexity descriptor abstract class.

DescriptorFragmentComplexity() - Constructor for class qsardes.descriptor.DescriptorFragmentComplexity

DescriptorHBondAcceptorsCount - Class in qsardes.descriptor

Hydrogen bond acceptors count descriptors abstract class.

DescriptorHBondAcceptorsCount() - Constructor for class qsardes.descriptor.DescriptorHBondAcceptorsCount

DescriptorHBondDonorsCount - Class in qsardes.descriptor

Hydrogen bond donors count descriptors abstract class.

DescriptorHBondDonorsCount() - Constructor for class qsardes.descriptor.DescriptorHBondDonorsCount

DescriptorHybridizationRatio - Class in qsardes.descriptor

Hybridization ratio descriptor abstract class.

DescriptorHybridizationRatio(Object[]) - Constructor for class qsardes.descriptor.DescriptorHybridizationRatio

DescriptorInformationContent - Class in qsardes.descriptor

Information content descriptors abstract class.

DescriptorInformationContent() - Constructor for class qsardes.descriptor.DescriptorInformationContent

DescriptorJplogp - Class in qsardes.descriptor

JPLogP descriptor abstract class.

DescriptorJplogp(Object[]) - Constructor for class qsardes.descriptor.DescriptorJplogp

DescriptorKappaShapeIndex - Class in qsardes.descriptor

Kappa shape index descriptors abstract class.

DescriptorKappaShapeIndex(Object[]) - Constructor for class qsardes.descriptor.DescriptorKappaShapeIndex

DescriptorLargestChain - Class in qsardes.descriptor

Largest chain descriptor abstract class.

DescriptorLargestChain(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorLargestChain

DescriptorLargestPiSystem - Class in qsardes.descriptor

Largest Pi system descriptor abstract class.

DescriptorLargestPiSystem(Object[]) - Constructor for class qsardes.descriptor.DescriptorLargestPiSystem

DescriptorLongestAliphaticChain - Class in qsardes.descriptor

Longest aliphatic chain descriptor abstract class.

DescriptorLongestAliphaticChain(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorLongestAliphaticChain

DescriptorMannholdLogp - Class in qsardes.descriptor

Mannhold LogP descriptor abstract class.

DescriptorMannholdLogp(Object[]) - Constructor for class qsardes.descriptor.DescriptorMannholdLogp

DescriptorMlfer - Class in qsardes.descriptor

Molecular linear free energy relation descriptors abstract class.

DescriptorMlfer() - Constructor for class qsardes.descriptor.DescriptorMlfer

DescriptorMolecularDistanceEdge - Class in qsardes.descriptor

Molecular distance edge descriptors abstract class.

DescriptorMolecularDistanceEdge(Object[]) - Constructor for class qsardes.descriptor.DescriptorMolecularDistanceEdge

DescriptorPathCount - Class in qsardes.descriptor

Path count descriptors abstract class.

DescriptorPathCount() - Constructor for class qsardes.descriptor.DescriptorPathCount

DescriptorPetitjeanNumber - Class in qsardes.descriptor

Petitjean number descriptor abstract class.

DescriptorPetitjeanNumber(Object[]) - Constructor for class qsardes.descriptor.DescriptorPetitjeanNumber

DescriptorRingCount - Class in qsardes.descriptor

Ring count descriptors abstract class.

DescriptorRingCount() - Constructor for class qsardes.descriptor.DescriptorRingCount

DescriptorRotatableBondsCount - Class in qsardes.descriptor

Rotatable bonds count descriptors abstract class.

DescriptorRotatableBondsCount(Boolean[], Boolean[]) - Constructor for class qsardes.descriptor.DescriptorRotatableBondsCount

DescriptorRuleOfFive - Class in qsardes.descriptor

Rule of five descriptor abstract class.

DescriptorRuleOfFive(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorRuleOfFive

DescriptorSpiroAtomCount - Class in qsardes.descriptor

Spiro atom count descriptor abstract class.

DescriptorSpiroAtomCount(Object[]) - Constructor for class qsardes.descriptor.DescriptorSpiroAtomCount

DescriptorTopological - Class in qsardes.descriptor

Topological descriptors abstract class.

DescriptorTopological() - Constructor for class qsardes.descriptor.DescriptorTopological

DescriptorTopologicalCharge - Class in qsardes.descriptor

Topological charge descriptors abstract class.

DescriptorTopologicalCharge() - Constructor for class qsardes.descriptor.DescriptorTopologicalCharge

DescriptorTopologicalDistance - Class in qsardes.descriptor

Topological distance matrix descriptor abstract class.

DescriptorTopologicalDistance() - Constructor for class qsardes.descriptor.DescriptorTopologicalDistance

DescriptorTopologicalPolarSurfaceArea - Class in qsardes.descriptor

Topological polar surface area descriptor abstract class.

DescriptorTopologicalPolarSurfaceArea(Boolean[]) - Constructor for class qsardes.descriptor.DescriptorTopologicalPolarSurfaceArea

DescriptorType - Enum Class in qsardes.descriptor

Descriptor type.

DescriptorVanDerWaalsVolume - Class in qsardes.descriptor

Van der Waals volume descriptor abstract class.

DescriptorVanDerWaalsVolume(Object[]) - Constructor for class qsardes.descriptor.DescriptorVanDerWaalsVolume

DescriptorVertexAdjacencyMatrix - Class in qsardes.descriptor

Vertex adjacency matrix descriptor abstract class.

DescriptorVertexAdjacencyMatrix(Object[]) - Constructor for class qsardes.descriptor.DescriptorVertexAdjacencyMatrix

DescriptorWalkCount - Class in qsardes.descriptor

Walk count descriptors abstract class.

DescriptorWalkCount() - Constructor for class qsardes.descriptor.DescriptorWalkCount

DescriptorWeight - Class in qsardes.descriptor

Weight descriptors abstract class.

DescriptorWeight() - Constructor for class qsardes.descriptor.DescriptorWeight

DescriptorWeightedPath - Class in qsardes.descriptor

Weighted path descriptors abstract class.

DescriptorWeightedPath(Object[]) - Constructor for class qsardes.descriptor.DescriptorWeightedPath

DescriptorWienerNumbers - Class in qsardes.descriptor

Wiener number descriptors abstract class.

DescriptorWienerNumbers(Object[]) - Constructor for class qsardes.descriptor.DescriptorWienerNumbers

DescriptorXlogp - Class in qsardes.descriptor

XLogP descriptor abstract class.

DescriptorXlogp(Object[]) - Constructor for class qsardes.descriptor.DescriptorXlogp

DescriptorZagrebIndex - Class in qsardes.descriptor

Zagreb index descriptor abstract class.

DescriptorZagrebIndex(Object[]) - Constructor for class qsardes.descriptor.DescriptorZagrebIndex

Dy - Enum constant in enum class qsardes.elements.ElementsEnum

A B C D E F G H I K L M N O P Q R S T U V W X Y Z
All Classes and Interfaces|All Packages|Serialized Form