| Literature DB >> 23062111 |
Gregory A Bakken1, Andrew S Bell, Markus Boehm, Jeremy R Everett, Rosalia Gonzales, David Hepworth, Jacquelyn L Klug-McLeod, Jeremy Lanfear, Jens Loesel, John Mathias, Terence P Wood.
Abstract
High Throughput Screening (HTS) is a successful strategy for finding hits and leads that have the opportunity to be converted into drugs. In this paper we highlight novel computational methods used to select compounds to build a new screening file at Pfizer and the analytical methods we used to assess their quality. We also introduce the novel concept of molecular redundancy to help decide on the density of compounds required in any region of chemical space in order to be confident of running successful HTS campaigns.Entities:
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Year: 2012 PMID： 23062111 DOI： 10.1021/ci300372a
Source DB: PubMed Journal: J Chem Inf Model ISSN： 1549-9596 Impact factor: 4.956