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Mini-Reviews in Medicinal Chemistry


ISSN (Print): 1389-5575
ISSN (Online): 1875-5607

Integration of Virtual Screening into the Drug Discovery Process

Author(s): D. N. Chin, C. E. Chuaqui and J. Singh

Volume 4, Issue 10, 2004

Page: [1053 - 1065] Pages: 13

DOI: 10.2174/1389557043403044

Price: $65


Advances in high-throughput virtual screening using docking, predictive ADME methods and their integration with informatics and high-performance computing are reviewed. Docking approaches have led to the identification of novel active compounds. Predictive ADME methods have improved on selective test sets with broader training sets, though extensive validation is lacking.

Keywords: virtual screening, docking, predictive adme, informatics

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