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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...
Autores principales: | Zhou, Zhenpeng, Li, Xiaocheng, Zare, Richard N. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2017
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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 |
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