| 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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