Quantitative Structure-Activity Relationship

Quantitative structure-activity relationship modelling predicts pharmaceutical potency from molecular structure using mathematical equations. Molecular descriptors quantitate structural features. Linear regression correlates descriptors with activity. Non-linear models accommodate complex relationships. Predictive accuracy validation demonstrates model reliability.

Drug design employs QSAR predictions guiding synthesis prioritisation. Emerging machine learning improves predictive accuracy. Regulatory submissions justify design rationale. Lead optimisation employs QSAR iteratively. Post-approval monitoring validates predictions.