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