Uses of Package
org.openscience.cdk.qsar
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Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar Class Description DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IAtomicDescriptor Classes that implement this interface are QSAR descriptor calculators.IAtomPairDescriptor Classes that implement this interface are QSAR descriptor calculators.IBondDescriptor Classes that implement this interface are QSAR descriptor calculators.IDescriptor Classes that implement this interface are QSAR descriptor calculators.IMolecularDescriptor Classes that implement this interface are QSAR descriptor calculators forIAtomContainer
objects. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.atomic Class Description AbstractAtomicDescriptor Abstract atomic descriptor class with helper functions for descriptors that require the whole molecule to calculate the descriptor values, which in turn need to be cached for all atoms, so that they can be retrieved one by one.DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IAtomicDescriptor Classes that implement this interface are QSAR descriptor calculators.IDescriptor Classes that implement this interface are QSAR descriptor calculators. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.atompair Class Description AbstractAtomPairDescriptor A super class for atom pair descriptors allowing default implementations for interface methods.DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IAtomPairDescriptor Classes that implement this interface are QSAR descriptor calculators.IDescriptor Classes that implement this interface are QSAR descriptor calculators. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.bond Class Description AbstractBondDescriptor Abstract bond descriptor class with helper functions for descriptors that require the whole molecule to calculate the descriptor values, which in turn need to be cached for all bonds, so that they can be retrieved one by one.DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IBondDescriptor Classes that implement this interface are QSAR descriptor calculators.IDescriptor Classes that implement this interface are QSAR descriptor calculators. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.molecular Class Description AbstractMolecularDescriptor A super class for molecular descriptors allowing default implementations for interface methods.DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IDescriptor Classes that implement this interface are QSAR descriptor calculators.IMolecularDescriptor Classes that implement this interface are QSAR descriptor calculators forIAtomContainer
objects. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.protein Class Description AbstractMolecularDescriptor A super class for molecular descriptors allowing default implementations for interface methods.DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IDescriptor Classes that implement this interface are QSAR descriptor calculators.IMolecularDescriptor Classes that implement this interface are QSAR descriptor calculators forIAtomContainer
objects. -
Classes in org.openscience.cdk.qsar used by org.openscience.cdk.qsar.descriptors.substance Class Description DescriptorSpecification Class that is used to distribute descriptor specifications.DescriptorValue Class that is used to store descriptor values as IChemObject properties.IDescriptor Classes that implement this interface are QSAR descriptor calculators.