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Controlling an organic synthesis robot with machine learning to search for new reactivity
The discovery of chemical reactions is an inherently unpredictable and time-consuming process1. An attractive alternative is to predict reactivity, although relevant approaches, such as computer-aided reaction design, are still in their infancy. Reaction prediction based on high-level quantum chemic...
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| Publicado no: | Nature |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6223543/ https://ncbi.nlm.nih.gov/pubmed/30022133 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41586-018-0307-8 |
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