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[ 源代码: fmcs  ]

软件包: python-fmcs (1.0-1)

Find Maximum Common Substructure

Fcms finds the maximum common substructure (MCS) of a group (or cluster) of chemical structures and report the result as a SMARTS string.

More specifically, the MCS found is a common edge subgraph, and not a common induced subgraph. Only connected MCSes are found.

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