Package chemaxon.sss.search

Provides structural search capabilities.

See:
Description

Class Summary

Decomposition	Class storing RGroupDecomposition results.
JChemSearchOptions	Class to encapsulate search parameters used by JChemSearch.
MarkushFeature	Markush feature identifier.
MarkushGenerator	Generates RgMolecule output that covers the specified targets with the specified scaffold.
MarkushTagger	Tags Markush structure by the coverage data of example structures.
MatchCountOptions	Class to encapsulate Match count option parameters used by JChemSearch.
MCES	This class finds the largest common substructure of two molecules.
MCS	Deprecated. As of JChem 5.4, use MCES instead
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
SearchHit	Search hit object.
SearchOptions	Class to encapsulate common search parameters.
StandardizedMolSearch	MolSearch subclass that standardizes (e.g. aromatizes) query and target structures before searching.

Enum Summary

MCES.SearchMode	Enum type for search modes of the MCES algorithm.
MCES.TerminationCause	Enum type for causes of MCES search termination.

Package chemaxon.sss.search Description

Provides structural search capabilities.