this is for holding javascript data
David Koes Deleted File
about 8 years ago
Commit id: 87b1cd692ffc651028be17fccb4287e51d15c0c4
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The fmcsR is an R interface which provides a maximum common substructure (MCS) algorithm combined with a novel matching strategy that include atom and/or bond mismatches in the substructures common among two small molecules. Therefore, the resulting flexible MCSs (FMCSs) are often larger than initial MCSs. It causes the recognition of more shared features in their original structures, providing higher sensitivity in discovering molecules with weak structural similarities. The fmcsR allows to use FMCS algorithm for pairwise compound comparisons, structure similarity searching, clustering and visualization of MCSs \cite{Wang_2013}.
