De novo molecular design and generative models J Meyers, B Fabian, N Brown Drug discovery today 26 (11), 2707-2715, 2021 | 164 | 2021 |
Molecular representation learning with language models and domain-relevant auxiliary tasks B Fabian, T Edlich, H Gaspar, M Segler, J Meyers, M Fiscato, M Ahmed arXiv preprint arXiv:2011.13230, 2020 | 118 | 2020 |
On the origins of three-dimensionality in drug-like molecules J Meyers, M Carter, NY Mok, N Brown Future Medicinal Chemistry 8 (14), 1753-1767, 2016 | 108 | 2016 |
DeeplyTough: learning structural comparison of protein binding sites M Simonovsky, J Meyers Journal of chemical information and modeling 60 (4), 2356-2366, 2020 | 79 | 2020 |
Evaluation of DFO-HOPO as an octadentate chelator for zirconium-89 L Allott, C Da Pieve, J Meyers, T Spinks, DM Ciobota, G Kramer-Marek, ... Chemical Communications 53, 8529-8532, 2017 | 51 | 2017 |
Privileged structures and polypharmacology within and between protein families J Meyers, NEA Chessum, S Ali, NY Mok, B Wilding, AE Pasqua, ... ACS Medicinal Chemistry Letters 9 (12), 1199-1204, 2018 | 19 | 2018 |
Mapping the 3D structures of small molecule binding sites J Meyers, N Brown, J Blagg Journal of Cheminformatics 8 (1), 70, 2016 | 17 | 2016 |
Molecular representation learning with language models and domain-relevant auxiliary tasks. arXiv B Fabian, T Edlich, H Gaspar, MHS Segler, J Meyers, M Fiscato, M Ahmed arXiv preprint arXiv:2011.13230, 2020 | 11 | 2020 |
Molecular representation learning with language models and domain-relevant auxiliary tasks. arXiv 2020 B Fabian, T Edlich, H Gaspar, M Segler, J Meyers, M Fiscato, M Ahmed arXiv preprint arXiv:2011.13230, 0 | 11 | |
Proteochemometric models using multiple sequence alignments and a subword segmented masked language model HA Gaspar, M Ahmed, T Edlich, B Fabian, Z Varszegi, M Segler, J Meyers, ... | 7 | 2021 |
FragGT: Fragment-based evolutionary molecule generation with gene types J Meyers, N Brown | | 2024 |
Machine learning for protein binding sites J Meyers, M Segler, M Simonovsky US Patent App. 17/276,675, 2022 | | 2022 |