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Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing
Retrosynthesis planning, the process of identifying a set of available reactions to synthesize the target molecules, remains a major challenge in organic synthesis. Recently, computer-aided synthesis planning has gained renewed interest and various retrosynthesis prediction algorithms based on deep...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10209957/ https://www.ncbi.nlm.nih.gov/pubmed/37230985 http://dx.doi.org/10.1038/s41467-023-38851-5 |