QSAR ANALYSIS OF 5-N-SUBSTITUTED-2-(SUBSTITUTED BENZENESULPHONYL) - GLUTAMAMINES AS ANTITUMOR AGENT

A data set of five was subjected to a quantitative structure–activity relationship (QSAR) analysis.The antitumor properties of N-substituted-2-(substituted Benzenesulphonyl)-glutamamine derivatives activity. Several kinds of descriptors, such as WHIM, 3DMorse, and 2D autocorrelationDescriptors were employed to establish a numerical correlation between antitumor activity andstructural characteristics. Six parametric models were discovered, according to a multiple linear regression analysisto be optimal for simulating the current set of compounds' log (TWI) activity. For optimal QSARThe model's R2 statisticsFor the current set of compounds, =0.9103; Q=30.385; N=32. ThisRidge and the leave-one-out (LOO) cross-validation method were used to further validate the model regression. Keywords: QSAR, 2D autocorrelation, (LOO) cross-validation, Ridge regression analysis, Model.