How to connect Schrodinger about "Maximum Common Substructure Search" ?


I want to connect Schrodinger about "Maximum Common Substructure Search".

And my workflow is Molecule Reader ->Fingerprint Generation ->Generate Pairwise Matrix->Hierarchical Clustering (from Matrix).

After Hierarchical Clustering (from Matrix) the data is clustering,but "Maximum Common Substructure Search" need input ports is Maestro,Smiles,or SD that I can't connect.

Who can help me?

Thanks a lot.

The MCS and hierarchical clustering workflow examples on our workflow page ( should help. If it doesn't please contact

Best regards,


Jean-Christophe Mozziconacci

Senior Applications Scientist and KNIME Associate Product Manager at Schrodinger

This topic was automatically closed 90 days after the last reply. New replies are no longer allowed.