Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration | SAMURAI, NIMS Researchers Directory Service

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Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration

Takahiro Doba, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda.

Journal of the American Chemical Society 148 [25] 26150-26160. 2026.

https://doi.org/10.1021/jacs.6c05203

Open Access American Chemical Society (ACS) (Publisher) Materials Data Repository (MDR)

NIMS author(s)

NAGATA, Yuuya

Fulltext and dataset(s) on Materials Data Repository (MDR)

MDRavailable Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration

Created at: 2026-09-05 03:05:48 +0900 Updated at: 2026-10-07 05:47:12 +0900

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