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    Oct 2010
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    Current Drug Discovery Technologies, 2010, 7(3), pp170-187
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The in silico prediction of human-specific metabolites from hepatotoxic drugs

Long A; Valerio LG;

Valerio LG and Long A from Center for Drug Evaluation and Research, U.S. Food and Drug Administration and Lhasa Limited, respectively, present the use of a commercial software program to perform predictions in silico on seventeen hepatotoxic drugs for determining human-specific drug metabolites which might lead to chronic toxicity and cause potentially serious implications for clinical drug-drug interactions. The authors suggest that the proposed computational tools help support not only the development of therapeutics but also the safety assessment in identifying drug metabolites early to protect patients prior to initiating clinical studies.

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