title: Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery - the GSK experience.
abstract: Drug toxicity is a major cause of late-stage product attrition. During lead identification and optimization phases little information is typically available about which molecules might have safety concerns. A system was built linking chemistry, preclinical and human safety information, enabling scientists to lever safety knowledge across multiple disciplines. The system consists of a data warehouse with chemical structures and chemical and biological properties for ∼80000 compounds and tools to access and analyze clinical data, toxicology, in vitro pharmacology and drug metabolism data. Tapping into this safety knowledge enables rapid clinically focused risk assessments of drug candidates. Use of this strategy adds value to the drug discovery process at GSK via efficient triage of compounds based on their potential for toxicity.
authors: GlaxoSmithKline, 5 Moore Drive, Mailstop 17.1315K.1C, Research Triangle Park, NC 27709, USA.
authors: Dana E
authors: DE
authors: Vanderwall
authors: Nancy
authors: N
authors: Yuen
authors: Mohammad
authors: M
authors: Al-Ansari
authors: James
authors: J
authors: Bailey
authors: David
authors: D
authors: Fram
authors: Darren V S
authors: DV
authors: Green
authors: Stephen
authors: S
authors: Pickett
authors: Giovanni
authors: G
authors: Vitulli
authors: Juan I
authors: JI
authors: Luengo
authors: June S
authors: JS
authors: Almenoff