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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
752020
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
742018
Generating property-matched decoy molecules using deep learning
F Imrie, AR Bradley, CM Deane
Bioinformatics 37 (15), 2134-2141, 2021
132021
Deep Generative Design with 3D Pharmacophoric Constraints
F Imrie, TE Hadfield, AR Bradley, CM Deane
Chemical Science 12, 14577-14589, 2021
102021
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
22021
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
12022
Virtual Screening with Convolutional Neural Networks
F Imrie, AR Bradley, CM Deane
Artificial Intelligence in Drug Discovery 75, 151, 2020
12020
Continuous-Time Modeling of Counterfactual Outcomes Using Neural Controlled Differential Equations
N Seedat, F Imrie, A Bellot, Z Qian, M van der Schaar
arXiv preprint arXiv:2206.08311, 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
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
2021
Self-Supervision Enhanced Feature Selection with Correlated Gates
C Lee*, F Imrie*, M van der Schaar
International Conference on Learning Representations, 2021
2021
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