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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| Автори: | , , , , |
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| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
Nature Portfolio
2025-01-01
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| Серія: | Nature Communications |
| Онлайн доступ: | https://doi.org/10.1038/s41467-024-55374-9 |
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