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substructure

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asad / SMSD

SMSD — exact substructure and Maximum Common Substructure (MCS) search for chemical graphs. Apache 2.0 · J. Cheminformatics 2009, 1:12

java chemistry cheminformatics mcs graph-matching smarts cdk rascal substructure maven-central vf2 bron-kerbosch smsd substructure-search vf2pp rrsplit stereo-aware

Updated Mar 24, 2026
Java

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