Bibliography
- Lipinski CA, Lombardo F, Dominy BW, Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 1997;23:3-25
- Kerns EH, Di L. Pharmaceutical profiling in drug discovery. Drug Discov Today 2003;8(7):316-23
- Wang J, Urban L, Bojanic D. Maximising use of in vitro ADMET tools to predict in vivo bioavailability and safety. Expert Opin Drug Metab Toxicol 2007;3(5):641-65
- Kennedy T. Managing the drug discovery/development interface. Drug Discov Tech 1997;2:436-41
- Kola I, Landis J. Can the pharmaceutical industry reduce attrition rates? Nat Rev Drug Discov 2004;3:711-15
- Wang J. Comprehensive assessment of ADMET risks in drug discovery. Curr Pharm Des 2009;15(19):2195-219
- Caldwell GW, Yan Z, Tang W, ADME optimization and toxicity assessment in early- and late-phase drug discovery. Curr Top Med Chem 2009;9(11):965-80
- Wan H, Holmen AG. High throughput screening of physicochemical properties and in vitro ADME profiling in drug discovery. Comb Chem High Throughput Screen 2009;12(3):315-29
- Youdim KA, Zayed A, Dickins M, Application of CYP3A4 in vitro data to predict clinical drug-drug interactions; predictions of compounds as objects of interaction. Br J Clin Pharmacol 2008;65(5):680-92
- Perdaems N, Blasco H, Vinson C, Predictions of metabolic drug-drug interactions using physiologically based modelling: two cytochrome P450 3A4 substrates coadministered with ketoconazole or verapamil. Clin Pharmacokinet 2010;49(4):239-58
- Lombardo F, Obach RS, Waters NJ. Plasma protein binding and volume of distribution: determination, prediction and use in early drug discovery. Methods Princ Med Chem 2009;43:197-220
- Heimbach T, Lakshminarayana SB, Hu W, Practical anticipation of human efficacious doses and pharmacokinetics using in vitro and preclinical in vivo data. AAPS J 2009;11(3):602-14
- Wang J, Skolnik S. Mitigating permeability-mediated risks in drug discovery. Expert Opin Drug Metab Toxicol 2010;6(2):171-87
- Ekins S, Honeycutt JD, Metz JT. Evolving molecules using multi-objective optimization: applying to ADME/Tox. Drug Discov Today 2010;15:451-60
- Hamon J, Whitebread S, Techer-Etienne V, In vitro safety pharmacology profiling: what else beyond hERG? Future Med Chem 2009;1(4):645-65
- Zhou H. Lead optimization in the non drug-like space. Drug Discov Today 2011;16(3/4):158-63
- Egan WJ, Merz KM Jr, Baldwin JJ. Prediction of drug absorption using multivariate statistics. J Med Chem 2000;43:3867-77
- Gabrielsson J, Dolgos H, ran Gillberg P-G, Early integration of pharmacokinetic and dynamic reasoning is essential for optimal development of lead compounds: strategic considerations. Drug Discov Today 2009;14(7/8):358-72
- Cavero I. Using pharmacokinetic/pharmacodynamic modelling in safety pharmacology to better define safety margins: a regional workshop of the Safety Pharmacology Society. Expert Opin Drug Saf 2007;6(4):465-71
- Wager TT, Chandrasekaran RY, Hou X, Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes. ACS Chem Neurosci 2010;1(6):420-34
- De Buck SS, Sinha VK, Fenu LA, Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs. Drug Metab Dispos 2007;35(10):1766-80
- Jamei M, Marciniak S, Feng K, The Simcyp population-based ADME simulator. Expert Opin Drug Metab Toxicol 2009;5(2):211-23
- Maguire TJ, Novik E, Chao P, Design and application of microfluidic systems for in vitro pharmacokinetic evaluation of drug candidates. Curr Drug Metab 2009;10(10):1192-9
- Sung JH, Esch MB, Shuler ML. Integration of in silico and in vitro platforms for pharmacokinetic-pharmacodynamic modeling. Expert Opin Drug Metab Toxicol 2010;6(9):1063-81
- Swift B, Pfeifer ND, Brouwer KLR. Sandwich-cultured hepatocytes: an in vitro model to evaluate hepatobiliary transporter-based drug interactions and hepatotoxicity. Drug Metab Rev 2010;42(3):446-71
- Biswas D, Roy S, Sen S. A simple approach for indexing the oral druglikeness of a compound: discriminating druglike compounds from nondruglike ones. J Chem Inform Mod 2006;46(3):1394-401
- Obach RS, Kalgutkar AS, Soglia JR, Can in vitro metabolism-dependent covalent binding data in liver microsomes distinguish hepatotoxic from nonhepatotoxic drugs? An analysis of 18 drugs with consideration of intrinsic clearance and daily dose. Chem Res Toxicol 2008;21(9):1814-22
- Hou T, Wang J. Structure – ADME relationship: still a long way to go? Expert Opin Drug Metab Toxicol 2008;4(6):759-70
- Wang J, Skolnik S. Recent advances in physicochemical and ADMET profiling in drug discovery. Chem Biodivers 2009;6:1887-99