EGFR AP : a predictive machine learning model for assessing small molecule activity against the epidermal growth factor receptor
Ashish Gupta, Amarinder Singh Thind, Rituraj Purohit · RSC Medicinal Chemistry · 2025
values was 0.82. The model was probed for overfitting using 10-fold cross-validation, and a series of structure-based drug design experiments were performed to validate the tool's predictions. The findings backed up the model's performance. This tool will be of significant importance to medicinal chemists in identifying promising EGFR inhibitors.