MCS Similarity score reporting¶
A program that loads a previously generated MCS fragment database, then returns the highest Maximum Common Substructure (Tanimoto) scores from the provided input query structures.
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Schematic representation of the MCS fragment index and search process¶
See also
OEMCSFragDatabase class
OEMCSFragDatabaseOptions class
Command Line Interface¶
prompt> MCSFragDatabase -indb index.mcsfrag -query queries.sdf
Code¶
Download code