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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

B. Socas-Rodríguez

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Open access Aug 2026

When high accuracy misleads in literature-derived machine learning for deep eutectic solvent recommendation

It is demonstrated that in literature-derived DES extraction settings, improvements in predictive accuracy do not necessarily translate into reliable recommendation capability, highlighting the need for data-centric evaluation, comparable candidate reporting, and structured experimental metadata for ML-driven chemical...

Hakim Faraji, J. Méndez-Pérez, R. Rodríguez-Ramos et al. · 1 citation
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. · 0 citations

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