Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration
T
Takahiro Doba
(International Research Center for Elements Science, Institute for Chemical Research)
Y
Yu Harabuchi
(Institute for Chemical Reaction Design and Discovery (WPI-ICReDD))
Y
Yuuya Nagata
(Institute for Chemical Reaction Design and Discovery (WPI-ICReDD))
S
Satoshi Maeda
(Institute for Chemical Reaction Design and Discovery (WPI-ICReDD))
Article Details
Volume / Issue
Vol. 148, Issue 25
Published
July 01, 2026
Pages
26150-26160
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (4)
T
Takahiro Doba
International Research Center for Elements Science, Institute for Chemical Research
Y
Yu Harabuchi
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD)
Y
Yuuya Nagata
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD)
S
Satoshi Maeda
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD)
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