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Nat Rev Drug Discov. 2007 Feb;6(2):140-8.

Simulation and prediction of in vivo drug metabolism in human populations from in vitro data.

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Academic Unit of Clinical Pharmacology, Floor M, The Royal Hallamshire Hospital, Sheffield S10 2JF, and Simcyp Ltd, The Blades Enterprise Centre, John Street, Sheffield S2 4SU, UK.


The perceived failure of new drug development has been blamed on deficiencies in in vivo studies of drug efficacy and safety. Prior simulation of the potential exposure of different individuals to a given dose might help to improve the design of such studies. This should also help researchers to focus on the characteristics of individuals who present with extreme reactions to therapy. An effort to build virtual populations using extensive demographic, physiological, genomic and in vitro biochemical data to simulate and predict drug disposition from routinely collected in vitro data is outlined.

[Indexed for MEDLINE]

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