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Machine learning for chemical discovery
Discovering chemicals with desired attributes is a long and painstaking process. Curated datasets containing reliable quantum-mechanical properties for millions of molecules are becoming increasingly available. The development of novel machine learning tools to obtain chemical knowledge from these d...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7431574/ https://www.ncbi.nlm.nih.gov/pubmed/32807794 http://dx.doi.org/10.1038/s41467-020-17844-8 |