title: Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case.
abstract: In this study, the screening collections of two major pharmaceutical companies (AstraZeneca and Bayer Pharma AG) have been compared using a 2D molecular fingerprint by a nearest neighborhood approach. Results revealed a low overlap between both collections in terms of compound identity and similarity. This emphasizes the value of screening multiple compound collections to expand the chemical space that can be accessed by high-throughput screening (HTS).
authors.affiliation: Chemistry Innovation Centre/Discovery Sciences, AstraZeneca R&D Mölndal, SE-43183 Mölndal, Sweden. Electronic address: Thierry.Kogej@astrazeneca.com.
authors.forename: Thierry
authors.initials: T
authors.lastname: Kogej
authors.forename: Niklas
authors.initials: N
authors.lastname: Blomberg
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Greasley
authors.forename: Stefan
authors.initials: S
authors.lastname: Mundt
authors.forename: Mikko J
authors.initials: MJ
authors.lastname: Vainio
authors.forename: Jens
authors.initials: J
authors.lastname: Schamberger
authors.forename: Georg
authors.initials: G
authors.lastname: Schmidt
authors.forename: Jörg
authors.initials: J
authors.lastname: Hüser
mesh_terms: D000818:Animals; D055808:Drug Discovery / Q000379:methods / Q000639:trends*; D004353:Drug Evaluation, Preclinical / Q000379:methods / Q000639:trends; D004345:Drug Industry / Q000379:methods / Q000639:trends*; D057166:High-Throughput Screening Assays / Q000379:methods / Q000639:trends*; D006801:Humans; D054852:Small Molecule Libraries / Q000737:chemistry*
chemical_list: D054852:Small Molecule Libraries