简要回顾了国内外硝基含能材料撞击感度预测研究的发展状况,介绍了硝基含能材料撞击感度的预测方法,并对各类方法的优缺点以及适用性作了分析和讨论。着重对定量结构-性质相关性研究(QSPR)在撞击感度预测领域的应用与发展作了介绍,对样本集设计、描述符的筛选以及建模方法的选择作了分析与探讨。展望了含能材料撞击感度的预测研究的前景与发展方向。
The development of predicting the impact sensitivity of nitro energetic materials is reviewed in this paper.Different methods of predicting the impact sensitivity are introduced,and the advantages and disadvantages as well as the applicability of each method is also analyzed.The application and development of QSPR in predicting impact sensitivity is especially introduced.Furthermore, the study on the design of dataset,selection of molecule descriptors and choosing of modeling technique are discussed.Finally,the further study on the prediction of impact sensitivity of energetic materials is proposed.