David J. Ponting

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 4

Top Topics

Machine Learning

Quantum Mechanics

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Mario Öeren, Sylvia C. Kaempf, David J. Ponting, Peter A. Hunt, Matthew D. Segall
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs. J. Chem. Inf. Model. 63 (11) (2023)
Mario Öeren, Peter J. Walton, Peter A. Hunt, David J. Ponting, Matthew D. Segall
Predicting reactivity to drug metabolism: beyond P450s - modelling FMOs and UGTs. J. Comput. Aided Mol. Des. 35 (4) (2021)
Peter A. Hunt, Layla Hosseini-Gerami, Tomas Chrien, Jeffrey Plante, David J. Ponting, Matthew D. Segall
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods. J. Chem. Inf. Model. 60 (6) (2020)
David J. Ponting, Ruud van Deursen, Martin A. Ott
Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints. J. Chem. Inf. Model. 60 (10) (2020)