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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...

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Detalles Bibliográficos
Autores principales: Zhong, Weihe, Yang, Ziduo, Chen, Calvin Yu-Chian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
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

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