A data-driven group retrosynthesis planning model inspired by neurosymbolic programming
Abstract Deep generative models have garnered significant attention for their efficiency in drug discovery, yet the synthesis of proposed molecules remains a challenge. Retrosynthetic planning, a part of computer-assisted synthesis planning, addresses this challenge by recursively decomposing molecu...
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| Главные авторы: | , , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Nature Portfolio
2025-01-01
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| Серии: | Nature Communications |
| Online-ссылка: | https://doi.org/10.1038/s41467-024-55374-9 |
| Метки: |
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