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Optimizing Chemical Reactions with Deep Reinforcement Learning

[Image: see text] Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome. This model outperformed a state-of-the-art blackbox optimization algori...

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Detalles Bibliográficos
Autores principales: Zhou, Zhenpeng, Li, Xiaocheng, Zare, Richard N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5746857/
https://www.ncbi.nlm.nih.gov/pubmed/29296675
http://dx.doi.org/10.1021/acscentsci.7b00492