Tzu-Hsuan Fu

Prediction of CO2 Solubility in Deep Eutectic Solvents Using Machine Learning with Compact σ-Profile-Derived Descriptors

Deep eutectic solvents (DESs) are promising for CO2 capture, yet rapid screening remains challenging because of their chemical diversity. This study develops an interpretable machine learning framework integrating experimental conditions with compact molecular descriptors derived from COSMO solvation calculations and...