Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments

Designing efficient synthetic routes for a target molecule remains a major challenge in organic synthesis. Atom environments are ideal, stand-alone, chemically meaningful building blocks providing a high-resolution molecular representation. Our approach mimics chemical reasoning, and predicts reacta...

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Detalles Bibliográficos
Autores principales: Ucak, Umit V., Ashyrmamatov, Islambek, Ko, Junsu, Lee, Juyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8897428/
https://www.ncbi.nlm.nih.gov/pubmed/35246540
http://dx.doi.org/10.1038/s41467-022-28857-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8897428/
https://www.ncbi.nlm.nih.gov/pubmed/35246540
http://dx.doi.org/10.1038/s41467-022-28857-w

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