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Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?
As machine learning/artificial intelligence algorithms are defeating chess masters and, most recently, GO champions, there is interest – and hope – that they will prove equally useful in assisting chemists in predicting outcomes of organic reactions. This paper demonstrates, however, that the applic...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5472585/ https://www.ncbi.nlm.nih.gov/pubmed/28620199 http://dx.doi.org/10.1038/s41598-017-02303-0 |