Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration. - Thomas E. Hadfield; Fergus Imrie; Andy Merritt; Kristian Birchall; Charlotte M. Deane (J. Chem. Inf. Model., 2022)

A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening. - Jack Scantlebury; Lucy Vost; Anna Carbery; Thomas E. Hadfield; Oliver M. Turnbull; Nathan Brown; Vijil Chenthamarakshan; Payel Das; Harold Grosjean; Frank von Delft; Charlotte M. Deane (J. Chem. Inf. Model., 2023)

Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding. - Thomas E. Hadfield; Jack Scantlebury; Charlotte M. Deane (J. Cheminformatics, 2023)