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Fergus Imrie
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Cited by
Year
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
992020
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
922018
Deep Generative Design with 3D Pharmacophoric Constraints
F Imrie, TE Hadfield, AR Bradley, CM Deane
Chemical Science 12, 14577-14589, 2021
232021
Generating property-matched decoy molecules using deep learning
F Imrie, AR Bradley, CM Deane
Bioinformatics 37 (15), 2134-2141, 2021
222021
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
92021
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
32022
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
22022
Self-Supervision Enhanced Feature Selection with Correlated Gates
C Lee*, F Imrie*, M van der Schaar
International Conference on Learning Representations, 2022
22022
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
12021
Virtual Screening with Convolutional Neural Networks
F Imrie, AR Bradley, CM Deane
Artificial Intelligence in Drug Discovery 75, 151, 2020
12020
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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