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Cluster

This tool will cluster compounds for you. Paste in or upload the SMILES of the compounds you wish to cluster. You will receive a list of representatives and a report.

OR

to calculate names.
A product of BCIRC, the Bioinfomatics and Chemical Informatics Research Center @ UCSF. Last updated Aug 6, 2009. Please direct email as follows: questions and discussion to blaster-fans at docking.org (DOCK Blaster), zinc-fans at docking.org (ZINC), dock-fans at docking.org (DOCK); bug reports to support at docking.org; any other correspondence to comments at docking.org. Terms of use. Privacy policy.