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

Journal:

Journal of the American Chemical Society

Published:

2026-06-19

DOI:

10.1021/jacs.6c05203

Affiliations:

4

Authors:

4

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Institutions	Authors	Share
WPI Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Japan	1.333333	0.33
ERATO Maeda Artificial Intelligence for Chemical Reaction Design and Discovery Project, Hokkaido University, Japan	1.333333	0.33
Kyoto University, Japan	1.000000	0.25
Hokkaido University, Japan	0.333333	0.08