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Journal of Automated Methods and Management in Chemistry
Volume 23 (2001), Issue 6, Pages 191-192
http://dx.doi.org/10.1155/S1463924601000256

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

Discovery Technologies, Neurogen Corporation, Branford, CT, USA

Copyright © 2001 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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.