Journal
DRUG DISCOVERY TODAY
Volume 6, Issue 21, Pages 1101-1110Publisher
ELSEVIER SCI LTD
DOI: 10.1016/S1359-6446(01)01990-0
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High-throughput synthesis and screening technologies have enhanced the impact of computational chemistry on the drug discovery process. From the design of targeted, drug-like libraries to 'virtual' optimization of potency, selectivity and ADME/Tox properties, computational chemists are able to efficiently manage costly resources and dramatically shorten drug discovery cycle times. This review will describe some of the successful strategies and applications of state-of-the-art algorithms to enhance drug discovery, as well as key points in the drug discovery process where computational methods can have, and have had, greatest impact.
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