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| Open AccessIn situ formation of ZnOx species for efficient propane dehydrogenation
Propene is obtained through propane dehydrogenation using catalysts that are toxic, expensive or demanding to regenerate with ecologically harmful compounds, but the ZnO-based alternative reported here is cheap, clean and scalable.
- Dan Zhao
- , Xinxin Tian
- & Evgenii V. Kondratenko
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Article |
Bayesian reaction optimization as a tool for chemical synthesis
Bayesian optimization is applied in chemical synthesis towards the optimization of various organic reactions and is found to outperform scientists in both average optimization efficiency and consistency.
- Benjamin J. Shields
- , Jason Stevens
- & Abigail G. Doyle
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Perspective |
The digitization of organic synthesis
This Perspective discusses the challenges associated with the prediction of chemical synthesis, in particular the reaction conditions required for organic transformations, and the role of machine-learning approaches in the prediction process.
- Ian W. Davies