Key Publications
Drug Prototypes and Their Exploitation by Walter Sneader, John Wiley & Sons Ltd, ISBN-10: 0471948470
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Lipinski et al., Advanced Drug Delivery Reviews Volume 23, Issues 1-3, 15 January 1997, Pages 3-25
Drugs, Leads, and Drug-Likeness: An analysis of some recently launched drugs, Proudfoot, Bioorganic & Medicinal Chemistry Letters Volume 12, Issue 12, 17 June 2002, Pages 1647-1650
Is There a Difference between Leads and Drugs? A Historical Perspective, Oprea, J. Chem. Inf. Comput. Sci. 2001, 41, 1308-1315
A Comparison of Physicochemical Property Profiles of Development and Marketed Oral Drugs, Wenlock, Journal of Medicinal Chemistry 2003 1250
Derivation and validation of toxicophores for mutagenicity prediction Kazius Jeroen; McGuire Ross; Bursi Roberta. Journal of Medicinal Chemistry (2005), 48(1), 312-20
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates, Veber, Journal of Medicinal Chemistry 2002 2615,
Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat, Burton, Journal of Medicinal Chemistry 2004 6104,
Features of Selective Kinase Inhibitors, Shokat, Chemistry & Biology,Volume 12, Issue 6,Pages 621-637
Structure-Brain Exposure Relationships, Hitchcock, Journal of Medicinal Chemistry 2006 7559,
ADME/PK as part of a rational approach to drug discovery, Eddershaw, Drug Discovery Today Volume 5, Issue 9, 1 September 2000, Pages 409-414
A structural basis for drug-induced long QT syndrome, Mitcheson, PNAS 97, 12329 (2000)
Medicinal Chemistry of hERG Optimizations: Highlights and Hang-Ups, Jamieson, Journal of Medicinal Chemistry, 2006, 5029,
Ligand efficiency indices as guideposts for drug discovery, Abad-Zapatero, Drug Discovery Today Volume 10, Issue 7, 1 April 2005, Pages 464-46
Defining and maintaining a high quality screening collection: the GSK experience, Lane, Drug Discovery Today Volume 11, Issues 5-6, March 2006, Pages 267-272
A Bioavailability Score, Martin, Journal of Medicinal Chemistry 2005 3164
The role of medicinal chemists in drug discovery, Greenlee WJ, Desai MC; Curr Opin Drug Discov Devel. 2005 Jul;8(4):419-20
Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs, Vieth, Journal of Medicinal Chemistry, 2006, 3541,
Salt Selection and Optimisation Procedures for Pharmaceutical New Chemical Entities, Bastin, J. Org. Process Res. Dev.; (Technical Note); 2000; 4(5); 427-435.
The Identification of Toxicophores for the Prediction Mutagenicity, Hepatotoxicity and Cardiotoxicity, Hakimelahi, http://www.ics-ir.org/jics/vol2/n4/articles/jicsv2n4r1.
Developing early formulations: Practice and perspective, International Journal of Pharmaceutics 341 (2007) 1–19
Cyprotex ADME Guide: An excellent guide to understanding and interpreting ADME assays and results, available on request from the Cyprotex home page.

Last Update 10 Dec 2009
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