1. Bioanalytical Sciences Group and Manchester Centre for Integrative Systems Biology, School of Chemistry, Manchester Interdisciplinary Biocentre, University of Manchester, M1 7DN, U.K., School of Computer Science, Manchester Interdisciplinary Biocentre, University of Manchester, M1 7DN, U.K., and Department of Clinical Pharmacology, Drug Metabolism and Pharmacokinetics, AstraZeneca, Mereside, Alderley Park, Macclesfield, Cheshire, SK10 4TG, U.K.