reviewChemical ReviewsFeb 23, 2023HYBRID OA

A Brief Introduction to Chemical Reaction Optimization

University of Cambridge · GW Pharmaceuticals (United Kingdom) · +3 more institutions

PubMed
Indexed incrossrefdatacitepubmed

Abstract

From the start of a synthetic chemist's training, experiments are conducted based on recipes from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist to develop practical skills and some chemical intuition. This procedure is often kept long into a researcher's career, as new recipes are developed based on similar reaction protocols, and intuition-guided deviations are conducted through learning from failed experiments. However, when attempting to understand chemical systems of interest, it has been shown that model-based, algorithm-based, and miniaturized high-throughput techniques outperform human chemical intuition and achieve reaction optimization in a much more time- and…

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