OEMCSFragDatabaseCoreQuery

bool OEMCSFragDatabaseCoreQuery(const std::string& MCScoreSMI,
                                std::string& MCScoreSMARTS)

This function can be used to convert the MCS SMILES core string into a more restrictive SMARTS query for use in highlighting or mapping activities that use the MCS core and the query or target structures.

See also

• OEMCSMolSimScore class

• OEMCSFragDatabase class

• OEMCSFragDatabase.GetScores method

• OEMCSFragDatabase.GetSortedScores method