QSAR using 2D descriptors and TRIPOS SIMCA. - Peter A. Hunt (J. Comput. Aided Mol. Des., 1999)

Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations. - Jonathan D. Tyzack; Peter A. Hunt; Matthew D. Segall (J. Chem. Inf. Model., 2016)

WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound. - Peter A. Hunt; Matthew D. Segall; Jonathan D. Tyzack (J. Comput. Aided Mol. Des., 2018)

Imputation of Assay Bioactivity Data Using Deep Learning. - Thomas M. Whitehead; Benedict W. J. Irwin; Peter A. Hunt; Matthew D. Segall; Gareth John Conduit (J. Chem. Inf. Model., 2019)

Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods. - Peter A. Hunt; Layla Hosseini-Gerami; Tomas Chrien; Jeffrey Plante; David J. Ponting; Matthew D. Segall (J. Chem. Inf. Model., 2020)

Predicting reactivity to drug metabolism: beyond P450s - modelling FMOs and UGTs. - Mario Öeren; Peter J. Walton; Peter A. Hunt; David J. Ponting; Matthew D. Segall (J. Comput. Aided Mol. Des., 2021)

Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs. - Mario Öeren; Sylvia C. Kaempf; David J. Ponting; Peter A. Hunt; Matthew D. Segall (J. Chem. Inf. Model., 2023)