NCATS and AZ/MRC repurposing cpds, PubChem CIDs and patent links

Update Jan 2013 1) data sheet updated with NCATS plus AZ/MRC from the paperr Challenges and recommendations for obtaining chemical structures of industry provided repurposing candidates. Christopher Southan, Antony J. Williams and Sean Ekins There is an expanding amount of interest directed at the repurposing and repositioning of drugs, as well<br>as how in silico methods can assist these endeavors. Recent repurposing project tendering calls by the National Center for Advancing Translational Sciences (USA) and the Medical Research Council (UK) have included compound information and pharmacological data. However, none of the internal company development code names were assigned to chemical structures in the official documentation. This not only abrogates in silico analysis to support repurposing but consequently necessitates data gathering and curation to assign structures. Here, we describe the approaches, results and major challenges associated with this. A list of chemical structures, as PubChem compound identifiers (CIDs) and patent mappings for the July 2012 NCATs list of drug candiates for open repurposing investigations. Background information at cdsouthan.blogspot.se (post links below)