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Peter Hunt

5PUBLICATIONS

6CO-AUTHORS

GlycoconjugatesBiomolecular modelling and designComputational chemistryDeep learningCheminformatics and quantitative structure-activity relationships

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Publications (5)

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|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 p<i>K</i><sub>a</sub> 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

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Frequent Collaborators

4 joint publications

Matthew Segall

3 joint publications

David J Ponting

2 joint publications

Mario Öeren

1 joint publications

T M Whitehead

1 joint publications

Sylvia C Kaempf

1 joint publications

Jeffrey Plante

Frequent Collaborators

4 joint publications

Matthew Segall

3 joint publications

David J Ponting

2 joint publications

Mario Öeren

1 joint publications

T M Whitehead

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