Abstract: Quantitative structure-activity relationship (QSAR) is a statistical modelling approach mostly used in molecular modelling, property and activity prediction of new molecule, drug discovery and prediction of environment. QSAR studies have been performed on 17 molecules of phenol and its derivatives. These quantitative structure-activity relationship models are based on few calculated and experimentally obtained Biological Activities Half Maximal Inhibitory concentration (IC50)......
Keywords: IC50, QSAR, Molecular descriptors, 3D MoRSE descriptors, FDI descriptors, RDF descriptors, Moreau autocorrelation descriptors, correlation coefficient, PRESS, SPRESS, PSE, LSE, PE.
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