An Overview on Study of QSAR Mathematical Models and Molecular Descriptors

Abstract

QSAR has been utilised frequently and successfully to construct predictive models for the activity of bioactive chemicals throughout the last few decades. QSAR has revolutionized the drug development process by discovering mathematical correlations linking chemical structures and pharmacological activity in quantitative matter of a series of molecules. The mathematical relationship between molecular descriptors and activity is utilised to determine the parameters that influence biological activity as well as to estimate the attributes of other molecules. Molecule structure, electronic orbital reactivity, and the function of structural and steric components have all been described using mathematical and statistical analysis.