Analysis of Neighborhood Behavior in Lead Optimization and Array Design. - George Papadatos; Anthony W. J. Cooper; Visakan Kadirkamanathan; Simon J. F. Macdonald; Iain M. McLay; Stephen D. Pickett; John Pritchard; Peter Willett 002; Valerie J. Gillet (J. Chem. Inf. Model., 2009)

Analysis of the Calculated Physicochemical Properties of Respiratory Drugs: Can We Design for Inhaled Drugs Yet? - Timothy J. Ritchie; Christopher N. Luscombe; Simon J. F. Macdonald (J. Chem. Inf. Model., 2009)

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity. - George Papadatos; Muhammad Alkarouri; Valerie J. Gillet; Peter Willett 002; Visakan Kadirkamanathan; Christopher N. Luscombe; Gianpaolo Bravi; Nicola J. Richmond; Stephen D. Pickett; Jameed Hussain; John Pritchard; Anthony W. J. Cooper; et al. (J. Chem. Inf. Model., 2010)

Molecular Simulation of αvβ6 Integrin Inhibitors. - Ellen E. Guest; Steven A. Oatley; Simon J. F. Macdonald; Jonathan D. Hirst (J. Chem. Inf. Model., 2020)