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February 12, 2026Chemical Society Reviews10 citationsOpen Access

Bayesian optimization for chemical reactions

SDStefan DesimpelMDMatthieu DorbecKGKevin M. Van Geem

Key Points

  • The aim is to introduce bayesian optimization and its utility in enhancing chemical reactions.
  • Review of core principles and techniques of bayesian optimization.
  • Overview of its applications in both batch and flow chemical processes.
  • Focus on practical aspects for chemists.
  • Highlights the importance of bayesian optimization in improving efficiency of chemical reactions.
  • Demonstrates applications across various chemical processes.

Abstract

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.

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Cite This Study

Desimpel et al. (2026) studied this question.

synapsesocial.com/papers/698d6d9f5be6419ac0d52ab3https://doi.org/10.1039/d5cs00962f
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