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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...
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| Pubblicato in: | Chem Sci |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
The Royal Society of Chemistry
2021
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8153079/ https://ncbi.nlm.nih.gov/pubmed/34123316 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d1sc00482d |
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