Prediction of chemical reaction yields with large-scale multi-view pre-training
Abstract Developing machine learning models with high generalization capability for predicting chemical reaction yields is of significant interest and importance. The efficacy of such models depends heavily on the representation of chemical reactions, which has commonly been learned from SMILES or g...
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| Автори: | , , , |
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| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
BMC
2024-02-01
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| Серія: | Journal of Cheminformatics |
| Предмети: | |
| Онлайн доступ: | https://doi.org/10.1186/s13321-024-00815-2 |
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