@article{doba, title = {Construction of an Interpretable Regression Model for Yield Prediction and Mechanistic Insight Enabled by Automated Reaction Path Exploration}, author = {Takahiro Doba, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda}, publisher = {American Chemical Society (ACS)}, year = {2026}, keywords = {Automated Reaction Path Exploration, Interpretable Machine Learning, Reaction Yield Prediction, Reaction Mechanism Elucidation, Quantum Chemical Calculations} }