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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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Veröffentlicht in:Chem Sci
Hauptverfasser: Moon, Sooyeon, Chatterjee, Sourav, Seeberger, Peter H., Gilmore, Kerry
Format: Artigo
Sprache:Inglês
Veröffentlicht: The Royal Society of Chemistry 2020
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8179398/
https://ncbi.nlm.nih.gov/pubmed/34164060
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc06222g
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