ERβ-Score: An Interpretable Machine Learning-Based Scoring Function and Web Server for Estrogen Receptor β-Guided Drug Discovery in Triple-Negative Breast Cancer
ERβ-Score is introduced, an interpretable machine learning scoring system developed using a curated dataset of 1699 ERβ bioactive chemicals obtained from ChEMBL, characterized by 39 physicochemical and three-dimensional molecular descriptors, indicating strong and balanced discrimination between active and inactive ERβ modulators.