Package | Description |
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org.openscience.cdk.qsar | |
org.openscience.cdk.qsar.descriptors.atomic |
Modifier and Type | Class and Description |
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class |
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.
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class |
AtomDegreeDescriptor
This class returns the number of not-Hs substituents of an atom, also defined as "atom degree".
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class |
AtomHybridizationDescriptor
This class returns the hybridization of an atom.
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class |
AtomHybridizationVSEPRDescriptor
This class returns the hybridization of an atom.
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class |
AtomValenceDescriptor
This class returns the valence of an atom.
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class |
BondsToAtomDescriptor
This class returns the number of bonds on the shortest path between two atoms.
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class |
CovalentRadiusDescriptor
This class returns the covalent radius of a given atom.
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class |
DistanceToAtomDescriptor
This class returns the 3D distance between two atoms.
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class |
EffectiveAtomPolarizabilityDescriptor
Effective polarizability of a heavy atom
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