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Predicting glycosylation stereoselectivity using machine learning

Predicting the stereochemical outcome of chemical reactions is challenging in mechanistically ambiguous transformations. The stereoselectivity of glycosylation reactions is influenced by at least eleven factors across four chemical participants and temperature. A random forest algorithm was trained...

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Detalles Bibliográficos
Autores principales: Moon, Sooyeon, Chatterjee, Sourav, Seeberger, Peter H., Gilmore, Kerry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179398/
https://www.ncbi.nlm.nih.gov/pubmed/34164060
http://dx.doi.org/10.1039/d0sc06222g