QSAR Model Validation

QSAR (Quantitative Structure-Activity Relationship) model validation is the process of assessing how accurately a model predicts a substance’s biological activity based on its chemical structure. It involves testing the model with independent data not used during its creation to ensure reliability. Validation checks include analyzing statistical measures such as accuracy, robustness, and predictive power. Proper validation ensures the model can confidently be used to forecast the behavior of new compounds, reducing experimental costs and effort, and supporting safer, more effective chemical and drug development.