Peter Hunt

5PUBLICATIONS
6CO-AUTHORS
GlycoconjugatesBiomolecular modelling and designComputational chemistryDeep learningCheminformatics and quantitative structure-activity relationships
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|May 25, 2023
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs.

Mario Öeren, Sylvia C Kaempf, David J Ponting

|Oct 14, 2022
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning.

Mario Öeren, Peter J Walton, James Suri

|May 02, 2020
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods.

Peter Hunt, Layla Hosseini-Gerami, Tomas Chrien

|Feb 13, 2019
Imputation of Assay Bioactivity Data Using Deep Learning.

T M Whitehead, B W J Irwin, P Hunt

|Feb 22, 2018
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

Pageof 1

Frequent Collaborators

4 joint publications

Matthew Segall

3 joint publications

David J Ponting

2 joint publications

Mario Öeren

1 joint publications

T M Whitehead