Integration of Virtual Screening into the Drug Discovery Process

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

Journal Name: Mini-Reviews in Medicinal Chemistry

Volume 4 , Issue 10 , 2004

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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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Article Details

Year: 2004
Page: [1053 - 1065]
Pages: 13
DOI: 10.2174/1389557043403044
Price: $65

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