期刊
DRUG DISCOVERY TODAY
卷 18, 期 19-20, 页码 1014-1024出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2012.10.011
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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).
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