【摘要】 运用偏最小二乘(PLS)和遗传算法(GA)预测含能材料的爆炸性能。利用GA在"分子结构—爆炸性能(QSDR)"数据中选取较少的变量个数,以较少的变量个数包含较多的变量信息,再用PLS进行结构性能模型的建立和性能预测。将这种方法应用于呋咱和芳香类含能材料的性能预测当中,可以验证方法的有效性。更多还原

【Abstract】 The combination of two methods is proposed to construct GA based PLS analysis,which is applied to QSDR(quantitative structure-detonation relationship)studies for variable selection and model construction.By the method,a few latent variables can in- clude the information of more variables,thus better QSDR models can be obtained.The method is applied to furazan derivatives and ar- omatic compound,it demonstrates the validity of the method.更多还原