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Neural Networks for the Prediction of Organic Chemistry Reactions

[Image: see text] Reaction prediction remains one of the major challenges for organic chemistry and is a prerequisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, “learn” from being exposed to examples of the application of the rules of organic chemistry...

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Detalhes bibliográficos
Publicado no:ACS Cent Sci
Main Authors: Wei, Jennifer N., Duvenaud, David, Aspuru-Guzik, Alán
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2016
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5084081/
https://ncbi.nlm.nih.gov/pubmed/27800555
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.6b00219
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