Deep Generative Models for 3D Linker DesignFergus Imrie, Charlotte M. Deane, A.R. Bradley et al.|Journal of Chemical Information and Modeling|2020Cited by 266
Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More DataFergus Imrie, Charlotte M. Deane, Mihaela van der Schaar et al.|Journal of Chemical Information and Modeling|2018Cited by 138
Deep generative design with 3D pharmacophoric constraintsFergus Imrie, Charlotte M. Deane, A.R. Bradley et al.|Chemical Science|2021Cited by 110
Generating property-matched decoy molecules using deep learningFergus Imrie, Charlotte M. Deane, A.R. Bradley|Bioinformatics|2021Cited by 96
Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learningMaranga Mokaya, Charlotte M. Deane, Fergus Imrie et al.|Nature Machine Intelligence|2023Cited by 46