FAF-Drugs3: a web server for compound property calculation and chemical library design.

ABSTRACT: Drug attrition late in preclinical or clinical development is a serious economic problem in the field of drug discovery. These problems can be linked, in part, to the quality of the compound collections used during the hit generation stage and to the selection of compounds undergoing optimization. Here, we present FAF-Drugs3, a web server that can be used for drug discovery and chemical biology projects to help in preparing compound libraries and to assist decision-making during the hit selection/lead optimization phase. Since it was first described in 2006, FAF-Drugs has been significantly modified. The tool now applies an enhanced structure curation procedure, can filter or analyze molecules with user-defined or eight predefined physicochemical filters as well as with several simple ADME

SUBMITTER: Lagorce D 

PROVIDER: S-EPMC4489254 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature