Cargando…
Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Hundreds of catalytic methods are developed each year to meet the demand for high-purity chiral compounds. The computational design of enantioselective organocatalysts remains a significant challenge, as catalysts are typically discovered through experimental screening. Recent advances in combining...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153079/ https://www.ncbi.nlm.nih.gov/pubmed/34123316 http://dx.doi.org/10.1039/d1sc00482d |