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...

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Detalles Bibliográficos
Autores principales: Skoraczyński, G., Dittwald, P., Miasojedow, B., Szymkuć, S., Gajewska, E. P., Grzybowski, B. A., Gambin, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
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

Internet

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

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