[Dock-fans] ZINC filters
Carlos P Sosa
cpsosa at msi.umn.edu
Fri Aug 15 12:46:24 PDT 2008
Are you aware of any utilities (standalone) that I could use to filter
ligands from the ZINC database? A utility that would allow me to take a
collection of ligands as input (mol2 format) and give me a reduced set
using perhaps Lipinski rules and/or Veber filter?
We can do this from ZINC but I am just wondering about collections of
standalone utilities before we write our own Perl utilities.
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