Uses of Class
qsardes.molecule.AbstractMoleculeBuilder

Packages that use AbstractMoleculeBuilder

Package	Description
qsardes.cdk
qsardes.descriptor
qsardes.molecule

Uses of AbstractMoleculeBuilder in qsardes.cdk

Constructors in qsardes.cdk with parameters of type AbstractMoleculeBuilder

Modifier	Constructor	Description
	CdkBuilder(org.openscience.cdk.qsar.IMolecularDescriptor descr, Object[] param, AbstractMoleculeBuilder mol_build)	Constructs CDK descriptors calculator.

Uses of AbstractMoleculeBuilder in qsardes.descriptor

Methods in qsardes.descriptor with parameters of type AbstractMoleculeBuilder

Modifier and Type	Method	Description
Map<String,String>	Descriptor.get_descriptor_values(AbstractMoleculeBuilder mol_build)	Calculates descriptors values.
Map<String,String>	DescriptorAcgc.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAdjacencyMatrix.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAlogp.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorApol.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAromAtomCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAromBondCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAtomCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorAutocorrelation.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBaryszMatrix.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBasicGroupCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBcut.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBondCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBpol.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorBurdenModifiedEigenvalues.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorCarbonTypes.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorChiChain.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorChiCluster.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorChiPath.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorChiPathCluster.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorConstitutional.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorCrippen.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorDetourMatrix.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorEccentricConnectIndex.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorElectrTopolStateIndex.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorExtendedTopochemIndex.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintEstate.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintEstateCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintKlekotaRoth.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintKlekotaRothCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintPubchem.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintSubstructure.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFingerprintSubstructureCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFMF.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFractionalCsp3.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFractionalPsa.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorFragmentComplexity.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorHBondAcceptorsCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorHBondDonorsCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorHybridizationRatio.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorInformationContent.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorJplogp.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorKappaShapeIndex.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorLargestChain.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorLargestPiSystem.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorLongestAliphaticChain.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorMannholdLogp.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorMlfer.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorMolecularDistanceEdge.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorPathCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorPetitjeanNumber.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorRingCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorRotatableBondsCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorRuleOfFive.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorSpiroAtomCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorTopological.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorTopologicalCharge.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorTopologicalDistance.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorTopologicalPolarSurfaceArea.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorVanDerWaalsVolume.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorVertexAdjacencyMatrix.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorWalkCount.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorWeight.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorWeightedPath.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorWienerNumbers.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorXlogp.get_descriptor_values(AbstractMoleculeBuilder mol_build)
Map<String,String>	DescriptorZagrebIndex.get_descriptor_values(AbstractMoleculeBuilder mol_build)

Uses of AbstractMoleculeBuilder in qsardes.molecule

Subclasses of AbstractMoleculeBuilder in qsardes.molecule

Modifier and Type	Class	Description
final class	MoleculeBuilderQsarME	This class builds a QSAR-ME Profiler compliant molecular representation.
class	MoleculeBuilderQsarWB	This class builds a QSAR-WB Descriptors compliant molecular representation.

Constructors in qsardes.molecule with parameters of type AbstractMoleculeBuilder

Modifier	Constructor	Description
	Molecule(AbstractMoleculeBuilder mol_build)	Constructs a molecular representation.