Quantitative Structure

Quantitative Structure-Activity Relationship is based on the observation that the structures of active small molecules and the resulting molecular properties are directly related to biological activity. This modeling produces predictive models derived from application of statistical tools correlating biological activity or physico-chemical properties in QSPR models of chemicals with descriptors representative of molecular structure or properties. Quantitative Structure-Activity Relationship can also be used to study the interactions between the structural domains of proteins.