Open access
Aug 2026
A Leakage-Aware Benchmark Study of Machine Learning Models for Deep Eutectic Solvent Property Prediction
This study provides a structured and reproducible assessment of the conditions under which descriptor-based ML models can be expected to succeed or fail in DES systems and highlights the importance of rigorous, leakage-aware evaluation in data-driven chemical modeling.
Hakim Faraji, Julio Brito Santana, R. Rodríguez-Ramos et al.
· ACS Omega · 0 citations