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Journal of Automated Methods and Management in Chemistry logoLink to Journal of Automated Methods and Management in Chemistry
. 2001;23(6):191–192. doi: 10.1155/S1463924601000256

Computational chemistry, data mining, high-throughput synthesis and screening - informatics and integration in drug discovery

Charles J Manly 1
PMCID: PMC2562851  PMID: 18924712

Abstract

Drug discovery today includes considerable focus of laboratory automation and other resources on both combinatorial chemistry and high-throughput screening, and computational chemistry has been a part of pharmaceutical research for many years. The real benefit of these technologies is beyond the exploitation of each individually. Only recently have significant efforts focused on effectively integrating these and other discovery disciplines to realize their larger potential. This technical note will describe one example of these integration efforts.

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