Class and 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
for
IAtomContainer objects. |
Class and 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.
|
Class and 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.
|
Class and 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.
|
Class and 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
for
IAtomContainer objects. |
Class and 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
for
IAtomContainer objects. |
Class and 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.
|
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