The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.

Lagorce, David; Maupetit, Julien; Baell, Jonathan; Sperandio, Olivier; Tufféry, Pierre; Miteva, Maria A; Galons, Hervé; Villoutreix, Bruno O · Bioinformatics · 2011

other · Level V

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Abstract

The FAF-Drugs2 server is a web application that prepares chemical compound libraries prior to virtual screening or that assists hit selection/lead optimization before chemical synthesis or ordering. The FAF-Drugs2 web server is an enhanced version of the FAF-Drugs2 package that now includes Pan Assay Interference Compounds detection. This online toolkit has been designed through a user-centered approach with emphasis on user-friendliness. This is a unique online tool allowing to prepare large compound libraries with in house or user-defined filtering parameters. The FAF-Drugs2 server is freely available at http://bioserv.rpbs.univ-paris-diderot.fr/FAF-Drugs/.

Medical subject headings