Package | Description |
---|---|
ambit2.db.search.structure | |
ambit2.dbui | |
ambit2.descriptors | |
ambit2.descriptors.constitutional | |
ambit2.descriptors.processors |
Class and Description |
---|
FunctionalGroup |
Class and Description |
---|
FunctionalGroup |
Class and Description |
---|
AbstractKekulizationVerifier |
AbstractKekulizationVerifier.names_index |
AtomEnvironentMatrix |
AtomEnvironentMatrix._param |
AtomEnvironment
An atom environment.
|
AtomEnvironmentDescriptor._param |
FunctionalGroup |
IsotopeFactory
Used to store and return data of a particular isotope.
|
PKANode |
SizeDescriptor
Size descriptor.
|
SpherosityDescriptor
Spherosity descriptor.
|
VerboseDescriptorResult |
Class and Description |
---|
MolecularWeight
Temporary copied from CDK in order to specify the Carbon 12 atomic mass with
the right precision (see CDK bug ID ID: 2794591) IDescriptor based on the
weight of atoms of a certain element type.
|
Class and Description |
---|
AtomEnvironentMatrix |
AtomEnvironment
An atom environment.
|
AtomEnvironmentDescriptor
implements atom environment fingerprint following Xing, L., Glen, R.C.
|
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