Role of QSAR: Significance and Uses in Molecular Design
Anil Kumar Sahdev, Bhawana Sethi, Suman Rawat, Amrita Singh, Neeti Anand · Journal of Emerging Technologies and Innovative Research · 2018
If we take a series of chemicals and attempt to form a quantitative relationship between the biological effects (i.e. the activity) and the chemistry (i.e. the structure) of each of the chemicals, then we are able to form a quantitative structure–activity relationship or QSAR. SAR is a heart of computer aided drug design (CADD), SAR is qualitative expression, when SAR express in terms of mathematical models describing important parameter like activity, structure and properties result in coining of the term QSAR. QSAR defined as quantitative correlation of biological activities with physicochemical properties. Now a days a newer technique i.e. 3 D QSAR is also used to overcome the problems of classical QSAR.