Molecular BiologyInternational Conference on Artificial Intelligence and Big Data (ICAIBD)Peer-reviewed
Evaluation of Machine Learning Models for Aqueous Solubility Prediction in Drug Discovery
Nian Xue, Yuzhu Zhang, Sensen Liu
This study evaluates machine learning models for predicting aqueous solubility of compounds using the Huuskonen dataset, showing traditional algorithms can achieve high accuracy and interpretability.