Quantitative structure–activity relationship (source code)

= Quantitative structure–activity relationship
{wiki=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.