Single-step retrosynthesis prediction by leveraging commonly preserved substructures

Retrosynthesis analysis is an important task in organic chemistry with numerous industrial applications. Previously, machine learning approaches employing natural language processing techniques achieved promising results in this task by first representing reactant molecules as strings and subsequent...

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Detalles Bibliográficos
Autores principales: Fang, Lei, Li, Junren, Zhao, Ming, Tan, Li, Lou, Jian-Guang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147675/
https://www.ncbi.nlm.nih.gov/pubmed/37117216
http://dx.doi.org/10.1038/s41467-023-37969-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147675/
https://www.ncbi.nlm.nih.gov/pubmed/37117216
http://dx.doi.org/10.1038/s41467-023-37969-w

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