Reaction classification and yield prediction using the differential reaction fingerprint DRFP

Predicting the nature and outcome of reactions using computational methods is a crucial tool to accelerate chemical research. The recent application of deep learning-based learned fingerprints to reaction classification and reaction yield prediction has shown an impressive increase in performance co...

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Detalles Bibliográficos
Autores principales: Probst, Daniel, Schwaller, Philippe, Reymond, Jean-Louis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8996827/
https://www.ncbi.nlm.nih.gov/pubmed/35515081
http://dx.doi.org/10.1039/d1dd00006c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8996827/
https://www.ncbi.nlm.nih.gov/pubmed/35515081
http://dx.doi.org/10.1039/d1dd00006c

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