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Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction

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A solvent selection scheme for optimization of reactions is proposed using machine learning, based on the numerical descriptions of solvent molecules. Twenty-eight key solvents were represented usi... Click to show full abstract

A solvent selection scheme for optimization of reactions is proposed using machine learning, based on the numerical descriptions of solvent molecules. Twenty-eight key solvents were represented usi...

Keywords: machine learning; using machine; solvent selection; solvent; selection scheme; learning based

Journal Title: Bulletin of the Chemical Society of Japan
Year Published: 2020

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