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See:
Description
| Class Summary | |
|---|---|
| Decomposition | Class storing RGroupDecomposition results. |
| JChemSearchOptions | Class to encapsulate search parameters used by JChemSearch. |
| MarkushGenerator | Generates RgMolecule output that covers the specified targets
with the specified scaffold. |
| MatchCountOptions | Class to encapsulate Match count option parameters used by JChemSearch. |
| MCS | The MCS class find the largest substructure common to two molecular structures. |
| MolComparator | Interface for comparing atoms, bonds, etc. against different criteria. |
| MolSearch | Atom-by-atom structure search. |
| MolSearchOptions | Class to encapsulate search parameters used by MolSearch. |
| RgDecompResults | Convenience class for generating, storing and returning results of a search in different forms: as r-group decomposition or Markush molecule. |
| RGroupDecomposition | R-group decomposition. |
| Search | Parent of all structural search classes |
| SearchOptions | Class to encapsulate common search parameters. |
| StandardizedMolSearch | MolSearch subclass that standardizes (e.g. aromatizes) query and target structures before searching. |
Provides structural search capabilities.
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