Fergus Imrie

9PUBLICATIONS
9CO-AUTHORS
Biomolecular modelling and designNatural language processingAdversarial machine learningDeep learningCheminformatics and quantitative structure-activity relationships
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Publications (9)

|Sep 02, 2026
Teaching diffusion models physics: reinforcement learning for physically valid diffusion-based docking.

|Dec 18, 2025
Assessing the Chemical Intelligence of Large Language Models.

Nicholas T Runcie, Charlotte M Deane, Fergus Imrie

|Oct 03, 2023
Assessing eligibility for lung cancer screening using parsimonious ensemble machine learning models: A development and validation study.

Thomas Callender, Fergus Imrie, Bogdan Cebere

|Jun 22, 2023
AutoPrognosis 2.0: Democratizing diagnostic and prognostic modeling in healthcare with automated machine learning.

Fergus Imrie, Bogdan Cebere, Eoin F McKinney

|May 02, 2022
Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration.

Thomas E Hadfield, Fergus Imrie, Andy Merritt

|Dec 09, 2021
Deep generative design with 3D pharmacophoric constraints.

Fergus Imrie, Thomas E Hadfield, Anthony R Bradley

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Frequent Collaborators

7 joint publications

Charlotte M Deane

1 joint publications

Thomas E Hadfield

1 joint publications

Andy Merritt

1 joint publications

Thomas Callender