Fergus Imrie

Deep Generative Models for 3D Linker Design

Fergus Imrie, A.R. Bradley, Mihaela van der Schaar et al. · Journal of Chemical Information and Modeling · 2020 · 245 citations · Full text

Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data

Fergus Imrie, A.R. Bradley, Mihaela van der Schaar et al. · Journal of Chemical Information and Modeling · 2018 · 136 citations · Full text

Convolutional Neural Network, Engineering, Machine Learning +22

Deep generative design with 3D pharmacophoric constraints

Fergus Imrie, Thomas E. Hadfield, A.R. Bradley et al. · Chemical Science · 2021 · 95 citations · Full text

Generating property-matched decoy molecules using deep learning

Fergus Imrie, A.R. Bradley, Charlotte M. Deane · Bioinformatics · 2021 · 89 citations · Full text

Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning

Maranga Mokaya, Fergus Imrie, Willem P. van Hoorn et al. · Nature Machine Intelligence · 2023 · 44 citations · Full text