Determine the Maximum Common SubStructure (MCSS)

Created: 2009-10-23 12:01:42

BSL script to determine the maximum common substructure (MCSS) of a list of molecules and opens this in a JChemPaint editor.

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  • Friday 23 October 2009 12:17:30 (UTC)

    Looks intresting. You can also use new java.util.ArrayList() instead of cdk.createMoleculeList. But I am not sure that is clearer or shorter...

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