【摘要】 对苯酚类化合物进行三维投影得到了 5个形状参数 ,将其与 3个 Am指数及 8个量子化学参数相结合 .由最佳变量子集回归法对变量进行了压缩与选择 ,运用多元回归分析和人工神经网络法分别构造了预测数学模型 ,得到了满意的结果 .更多还原

【Abstract】 Five variables for phenol derivatives were calculated by molecular projection in three-dimensional space, which were combined with eight quantum-chemical parameters and three Am indices. These variables were selected by using leaps-and-bounds regression analysis. Multiple linear regression analysis and artificial neural networks were performed, and the results obtained by using artificial neural networks are superior than that obtained by using multiple linear regression.更多还原