What is QSAR?

Quantitative structure-activity relationship (QSAR) is a computational and mathematical modeling technique used to quantitatively relate the biological activity of a series of chemical compounds to their molecular structures and properties. It is commonly used in drug discovery and development to predict the activity of new compounds based on their structural similarity to known active compounds, thereby guiding the design of more effective drugs. QSAR models are built using statistical methods, such as regression analysis, to identify correlations between molecular descriptors (physicochemical properties, structural features) and biological activity.