I'm Fergus, a DPhil student based in the Department of Statistics at the University of Oxford. I am a member of the Oxford Protein Informatics Group (OPIG) , supervised by Prof. Charlotte Deane and Prof. Mihaela van der Schaar. My work focuses on deep learning applications to drug discovery.
Vast improvements in computational capabilities combined with increasing size and accuracy of protein structure and protein-ligand interaction data have enabled development of novel in silico methods in drug discovery. My research focuses on developing and applying state-of-the-art machine learning methods to structure-based drug design, while ensuring results are physical interpretable for medicinal chemists and readily testable. More broadly, I am interested in automation of the drug discovery process, and decision making of chemists.
1. F Imrie, A R Bradley, M van der Schaar, C M Deane - Protein Family-specific Models using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data, Journal of Chemical Information and Modeling, 2018, [Link]
Chicago, USA, July 2018
[Talk - video]
[Talk - materials]
2. RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry, London, UK, June 2018, [Link] [Flash talk] [Poster]
1. AI @ Oxford, Oxford, UK, March 2018, [Link] [Poster]
Email me at imrie[at]stats.ox.ac.uk
Find me on LinkedIn