Learning from the ligand: using ligand-based features to improve binding affinity prediction. - Fergus Boyles; Charlotte M. Deane; Garrett M. Morris (Bioinform., 2020)

Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses. - Fergus Boyles; Charlotte M. Deane; Garrett M. Morris (J. Chem. Inf. Model., 2022)

The future of machine learning for small-molecule drug discovery will be driven by data. - Guy Durant; Fergus Boyles; Kristian Birchall; Charlotte M. Deane (Nat. Comput. Sci., 2024)