F

Fergus Imrie

University of Oxford

ORCID: 0000-0002-6241-0123

Publishes on Computational Drug Discovery Methods, Machine Learning in Materials Science, Machine Learning in Healthcare. 48 papers and 961 citations.

PubIndex Score98Top 2% · mid-careerHow it's scored

48Publications

961Total Citations

First publication: 2018First senior author: 2023

Computational Drug Discovery Methods Machine Learning in Materials Science Machine Learning in Healthcare Explainable Artificial Intelligence (XAI)Machine Learning and Data Classification

Top publicationsby citations

Deep Generative Models for 3D Linker Design

Fergus Imrie, Charlotte M. Deane, A.R. Bradley et al.|Journal of Chemical Information and Modeling|2020

Cited by 266

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

Fergus Imrie, Charlotte M. Deane, A.R. Bradley et al.|Journal of Chemical Information and Modeling|2018

Cited by 138

Deep generative design with 3D pharmacophoric constraints

Fergus Imrie, Charlotte M. Deane, A.R. Bradley et al.|Chemical Science|2021

Cited by 110

Generating property-matched decoy molecules using deep learning

Fergus Imrie, Charlotte M. Deane, A.R. Bradley|Bioinformatics|2021

Cited by 96

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

Maranga Mokaya, Charlotte M. Deane, A.R. Bradley et al.|Nature Machine Intelligence|2023

Cited by 46