Bayesian optimization for chemical reactions

Chem. Soc. Rev., 2026, Advance Article DOI: 10.1039/D5CS00962F, Review Article Stefan Desimpel, Matthieu Dorbec, Kevin M. Van Geem, Christian V. Stevens This review provides chemists with an introduction to Bayesian optimization. Core principles and techniques are explained alongside a comprehensive overview of applications in both batch and flow, focusing on practical aspects.