Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction
Keyword(s):
Deep learning was used to optimize chemical reactions with the quantum mechanical properties of chemical contexts and reaction conditions as inputs. The trained deep learning model determines optimal reaction conditions by in silico exploration of accessible reaction space.
2006 ◽
Vol 78
(2)
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pp. 435-440
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Keyword(s):
2016 ◽
Vol 12
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pp. 835-845
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Keyword(s):
2012 ◽
Vol 550-553
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pp. 639-642
2020 ◽