Quantitative structure–activity relationship

Quantitative Structure-Activity Relationship (QSAR) is a computational technique used in medicinal chemistry and computational biology to predict the biological activity or properties of chemical compounds based on their molecular structure. QSAR modeling involves developing a mathematical relationship between the chemical structure of a compound and its biological activity, which allows researchers to estimate the activity of new or untested compounds. ### Key Components of QSAR: 1. **Descriptors**: These are quantitative representations of molecular structure.