DeepDESmelt: A Composition-Aware Mixture-of-Experts Model for Melting Point Prediction of Deep Eutectic Solvents

Experimental melting point values are manually extracted from literature published from 2003 to 2024. The raw data underwent a cleaning phase wherein entries devoid of melting point labels are excluded, and duplicate records sharing identical HBA/HBD structures and molar ratios are removed. Ultimately, the constructed database comprises 2,349 DES systems, each annotated with defined molecular structures, molar compositions, and experimental melting point values