Stephen Pickett

12PUBLICATIONS
43CO-AUTHORS
Biomolecular modelling and designTranslational and applied bioinformaticsReinforcement learningComputational chemistryDeep learning
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Publications (12)

|Jun 16, 2026
PyMolGen: Database-Driven Molecular Generation of Drug-Like Compounds.

|Apr 13, 2026
Automated Molecular Design in BRADSHAW, Applied to the Optimization of ERAP1 Inhibitors.

Robert P Law, Ian D Wall, Richard Lonsdale

|Feb 26, 2026
Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery.

Huw J Williams, Stephen D Pickett, Andrew Baxter

|Jul 25, 2025
Benchmarking 3D Structure-Based Molecule Generators.

Natasha Sanjrani, Damien E Coupry, Peter Pogány

|May 01, 2025
Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pretraining Data Augmentation.

Adrian Krzyzanowski, Stephen D Pickett, Peter Pogány

|Jun 01, 2024
bbSelect - An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups.

Francesco Rianjongdee, David Palmer, Stephen D Pickett

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Frequent Collaborators

5 joint publications

Peter Pogány

5 joint publications

David S Palmer

2 joint publications

David J Hirst

2 joint publications

Jonathan D Hirst