Catalyst Design and Feature Engineering to Improve Selectivity and Reactivity in Two Simultaneous Cross-Coupling Reactions
Kohei Motojima,
Abhijit Sen,
Yoichi M. A. Yamada
et al.
Abstract:Highly active catalysts are required in numerous industrial fields; therefore, to minimize costs and development time, catalyst design using machine learning has attracted significant attention. This study focused on a reaction system where two types of cross-coupling reactions, namely, Buchwald−Hartwig type cross-coupling (BHCC) and Suzuki−Miyaura type cross-coupling (SMCC) reactions, occur simultaneously. Constructing a machine-learning model that considers all experimental conditions is essential to accurat… Show more
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