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Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis
Rational solvent selection remains a significant challenge in process development. Here we describe a hybrid mechanistic-machine learning approach, geared towards automated process development workflow. A library of 459 solvents was used, for which 12 conventional molecular descriptors, two reaction...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6625492/ https://www.ncbi.nlm.nih.gov/pubmed/31367324 http://dx.doi.org/10.1039/c9sc01844a |