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decoys

This tool will make decoys for you. Enter the SMILES of the molecule for which you want decoys, or pick a file of smiles (one per line) to use. This method will pick 100 property matched decoys by default.

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.