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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2022
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| Materias: | |
| 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 |