nonbenzenoid aromatic compound

With the help of an improved back propagation algorithm on Artificial Neural Network (ANN) model and molecular structure descriptors as inputted characteristic parameters were used to predict the enthalpy of formation ΔH~0f for non-aromatic polynitro compounds (NAPNCs).

用误差反向传播(BP)的人工神经网络模型及分子结构描述码作为输入特征参数预测非芳香族多硝基化合物的生成焓,研究了网络参数及分子结构描述码的影响,同时按分子结构描述码进行了多元线性回归,取得了满意的结果,其回归方程相关系数达到了0。