中文摘要：

应用电性拓扑态（E-state）指数模拟分析了硝基类含能化合物的撞击感度，采用逐步回归构建了5个变量的定量结构-性质相关模型，模型的相关系数和标准偏差分别为0．907和0．1713，交叉验证相关系数及均方根误差分别为0．941和0．1869，模型具有较高的可靠性、相关度和预测能力。模型分析表明，电性拓扑态指数与硝基类化合物的撞击感度有较好的相关性，原子的电性状态是影响撞击感度的重要因素。

英文摘要：

The impact sensitivity of energetic nitro compounds was simulated and analyzed by means of electrotopological state （E-state） indices. A quantitative structure-property relationship （QSPR） model with 5 variables was established by using stepwise regression method. The correlation coefficient （Rmdj^2 ） and standard deviation （SD） of the model is 0.907 and 0. 171 3 respectively; cross validated coefficient （ QLOO ） is 0.941 and root mean square error （RMSE） is 0. 186 9. The model possesses better reliability, correlation degree and prediction ability. The model analysis shows that there is a better correlation between the E-state indices and the impact sensitivity of nitro compounds. The electrical state of atoms is an important influence factor of the impact sensitivity.