Journal
JOURNAL OF CHEMICAL INFORMATION AND MODELING
Volume 52, Issue 11, Pages 2937-2949Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ci300372a
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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 helps. decide on the density of compounds required in any region: of chemical space in order to be confident of running successful HTS campaigns.
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