Based on topological chemical theory,a newly developed topological indices Tp1,Tp2 and the structural information indicating variable I were used to describe the local chemical microenvironment of 35 nitrobenzene derivatives.The quantitative structural-activity relationship(QSAR) model for estimating the biological toxicity of 35 nitrobenzene derivatives was developed based on the newly introduced topological indices Tp1,Tp2 and the structural information indicating variable I by partial least regression(PLS).The experiment result showed th...