Quantitative structure-activity relationships of biological toxicity of aminobenzene derivatives
Zhong Li · Journal of Qinghai University · 2013
To further understand the quantitative structure-activity relationship of the 29 aminobenzene derivatives and improve the prediction precision of QSAR models,a multiregression equation based on stepwise regression method was proposed.In this study,the six structural parameters(L、π、 σx,σασF,σR,) and the indicating variable of the 29 aminobenzene derivatives were calculated.The algorithm stepwise regression method was performed for selection of the variables and the multiregression was carried out with satisfactory results.The biological toxicity mechanisms were discussed.