Authors
Thierry Kogej, Niklas Blomberg, Peter J Greasley, Stefan Mundt, Mikko J Vainio, Jens Schamberger, Georg Schmidt, Jörg Hüser
Publication date
2013/10/1
Source
Drug discovery today
Volume
18
Issue
19-20
Pages
1014-1024
Publisher
Elsevier Current Trends
Description
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).
Scholar articles
T Kogej, N Blomberg, PJ Greasley, S Mundt, MJ Vainio… - Drug discovery today, 2013