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15 16. 6. 2017.

Applications of QSAR Study in Drug Design

Quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) studies are important in silico methods in rational drug design. The aim of this methods are to optimize the existing leads in order to improve their biological activities and physico-chemical properties. Also, to predict the biological activities of untested and sometimes yet unavailable compounds. This article is a general review of different QSAR/QSPR studies in different previous researches. R2 and Q2 parameters are used in some studies to predict the predictability and robustness of the constructed models. In all mentioned articles QSAR study were good prediction tool for investigation drug activity or binding mode on specific receptors. Keywords— Drug design, QSAR, QSPR, Molecular Descriptor, Coefficient of Determination R2, Squared Correlation Coefficient Q2.


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