Seventy-six indole aryl sulfone compounds with anti-human immunodeficiency virus(HIV)activity were selected from the literature and their structures were characterized by molecular structure descriptors.Using stepwise regression analysis,10 parameters were selected from 28 structural parameters as the final variables of the regression equation,and a quantitative relationship model between the molecular structure and anti-HIV activity of indole aryl sulfone compounds was constructed.The multiple correlation coefficient R of the model was 0.904 9,indicating that the model had a good fitting effect and could reflect the correlation between the molecular structure and biological activity of indole aryl sulfone compounds.The results of leave-one-out(LOO)cross-validation showed that R was 0.856 7,and the standard deviation Std was 0.445 5,indicating that the model had good stabil-ity and reliability and can be used to predict the anti-HIV activity of indole aryl sulfone compounds.
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