Fergus Imrie

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Mihaela van der SchaarUniversity of Cambridge, The Alan Turing InstituteVerified email at ee.ucla.edu
Charlotte DeaneProfessor of Structural Bioinformatics, Oxford UniversityVerified email at stats.ox.ac.uk
Anthony BradleyExscientiaVerified email at exscientia.co.uk
Zhaozhi QianDAMTP, University of CambridgeVerified email at cam.ac.uk
Nabeel SeedatUniversity of Cambridge / Cornell University / University of the WitwatersrandVerified email at cam.ac.uk
Jonathan CrabbéDAMTP, University of CambridgeVerified email at cam.ac.uk
Changhee LeeAssistant Professor, Chung-Ang UniversityVerified email at cau.ac.kr
Alexis BellotDeepMindVerified email at deepmind.com
Jeroen BerrevoetsUniversity of CambridgeVerified email at cam.ac.uk
Alihan HüyükUniversity of CambridgeVerified email at cam.ac.uk
Daniel JarrettUniversity of CambridgeVerified email at maths.cam.ac.uk
Trent KyonoFacebook; University of California, Los AngelesVerified email at ucla.edu
James JordonResearch Assistant, The Alan Turing InstituteVerified email at turing.ac.uk
Willem P van HoornExecutive Director, Exscientia PlcVerified email at exscientia.ai
Aleksandra KaliszPhD student, University of OxfordVerified email at dtc.ox.ac.uk
Eoin McKinneyUniversity of Cambridge, Department of MedicineVerified email at cam.ac.uk
Bogdan CebereResearch engineerVerified email at cam.ac.uk
Alexander NorcliffeUniversity of CambridgeVerified email at cam.ac.uk
P. Lió, Pietro Lio, P. Lio, Pietro Liò, Pie...University of CambridgeVerified email at cam.ac.uk

Fergus Imrie

University of California, Los Angeles

Verified email at ucla.edu - Homepage

Machine Learning Drug Discovery Healthcare Cheminformatics Bioinformatics


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Deep generative models for 3d linker design F Imrie, AR Bradley, M van der Schaar, CM Deane Journal of chemical information and modeling 60 (4), 1983-1995, 2020	99	2020
Protein family-specific models using deep neural networks and transfer learning improve virtual screening and highlight the need for more data F Imrie, AR Bradley, M van der Schaar, CM Deane Journal of chemical information and modeling 58 (11), 2319-2330, 2018	92	2018
Deep Generative Design with 3D Pharmacophoric Constraints F Imrie, TE Hadfield, AR Bradley, CM Deane Chemical Science 12, 14577-14589, 2021	23	2021
Generating property-matched decoy molecules using deep learning F Imrie, AR Bradley, CM Deane Bioinformatics 37 (15), 2134-2141, 2021	22	2021
Explaining Latent Representations with a Corpus of Examples J Crabbé, Z Qian, F Imrie, M van der Schaar Thirty-Fifth Conference on Neural Information Processing Systems, 2021	9	2021
Incorporating target-specific pharmacophoric information into deep generative models for fragment elaboration TE Hadfield, F Imrie, A Merritt, K Birchall, CM Deane Journal of chemical information and modeling 62 (10), 2280-2292, 2022	3	2022
Continuous-Time Modeling of Counterfactual Outcomes Using Neural Controlled Differential Equations N Seedat, F Imrie, A Bellot, Z Qian, M van der Schaar International Conference on Machine Learning 39, 2022	2	2022
Self-Supervision Enhanced Feature Selection with Correlated Gates C Lee, F Imrie, M van der Schaar International Conference on Learning Representations, 2022	2	2022
Closing the loop in medical decision support by understanding clinical decision-making: A case study on organ transplantation Y Qin, F Imrie, A Hüyük, D Jarrett, A Gimson, M van der Schaar Advances in Neural Information Processing Systems 34, 2021	1	2021
Virtual Screening with Convolutional Neural Networks F Imrie, AR Bradley, CM Deane Artificial Intelligence in Drug Discovery 75, 151, 2020	1	2020
DC-Check: A Data-Centric AI checklist to guide the development of reliable machine learning systems N Seedat, F Imrie, M van der Schaar arXiv preprint arXiv:2211.05764, 2022		2022
Composite Feature Selection using Deep Ensembles F Imrie, A Norcliffe, P Lio, M van der Schaar Advances in Neural Information Processing Systems 35, 2022		2022
AutoPrognosis 2.0: Democratizing Diagnostic and Prognostic Modeling in Healthcare with Automated Machine Learning F Imrie, B Cebere, EF McKinney, M van der Schaar arXiv preprint arXiv:2210.12090, 2022		2022
Differentiable and Transportable Structure Learning J Berrevoets, N Seedat, F Imrie, M van der Schaar arXiv preprint arXiv:2206.06354, 2022		2022
To Impute or not to Impute?--Missing Data in Treatment Effect Estimation J Berrevoets, F Imrie, T Kyono, J Jordon, M van der Schaar arXiv preprint arXiv:2202.02096, 2022		2022
Testing the Limits of SMILES-based De Novo Molecular Generation with Curriculum and Deep Reinforcement Learning M Mokaya, F Imrie, WP van Hoorn, A Kalisz, AR Bradley, CM Deane bioRxiv, 2022.07. 15.500218, 2022		2022

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