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

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Hi,

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.

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The MCS and hierarchical clustering workflow examples on our workflow page (http://www.schrodinger.com/knimeworkflows/) should help. If it doesn't please contact help@schrodinger.com.

Best regards,

 

Jean-Christophe Mozziconacci

Senior Applications Scientist and KNIME Associate Product Manager at Schrodinger

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