crossrefMolecules2025-11-11Cited by 1
Duality of Simplicity and Accuracy in QSPR: A Machine Learning Framework for Predicting Solubility of Selected Pharmaceutical Acids in Deep Eutectic Solvents
Piotr Cysewski, Tomasz Jeliński, Julia Giniewicz, Anna Kaźmierska, Maciej Przybyłek
We present a systematic machine learning study of the solubility of diverse pharmaceutical acids in deep eutectic solvents (DESs). Using an automated Dual-Objective Optimization with Iterative feature pruning (DOO-IT) framework, we analyze a solubility dataset compiled from the l…