Matthew Segall

9PUBLICATIONS
16CO-AUTHORS
Deep learningBiomolecular modelling and designGlycoconjugatesPharmacogenomicsComputational chemistry
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Publications (9)

|Oct 22, 2025
Improving Predictions of Molecular Properties with Graph Featurization and Heterogeneous Ensemble Models.

Michael L Parker, Samar Mahmoud, Bailey Montefiore

|Dec 18, 2023
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules.

Elena Gelžinytė, Mario Öeren, Matthew D Segall

|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

|Apr 12, 2022
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.

Olga Obrezanova, Anton Martinsson, Tom Whitehead

|Oct 30, 2021
Imputation of sensory properties using deep learning.

Samar Mahmoud, Benedict Irwin, Dmitriy Chekmarev

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Frequent Collaborators

4 joint publications

Peter Hunt

3 joint publications

Mario Öeren

3 joint publications

David J Ponting

1 joint publications

T M Whitehead