Cost-Informed Bayesian Reaction Optimization

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00225C, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Alexandre Alain Schoepfer, Jan Weinreich, Ruben Laplaza, Jerome Waser, Clemence Corminboeuf
Bayesian optimization (BO) is an efficient method for solving complex optimization problems, including those in chemical research, where consequently it is gaining significant popularity. Although effective in guiding experimental design,…
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