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)

Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search. - Stephanie Wills; Ruben Sanchez-Garcia; Tim Dudgeon; Stephen D. Roughley; Andy Merritt; Roderick E. Hubbard; James Davidson; Frank von Delft; Charlotte M. Deane (J. Chem. Inf. Model., 2023)