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运用多元回归分析和人工神经网法对１８个吡啶和喹啉类化合物的１１８个化学位移进行计算机模拟，并应用碳原子的空间和电子结构特征来表征其所处的化学环境，从而获得了比较好的相关模型。波谱模拟技术对辅助有机化合物结构解析和化学位移的确认是十分有用的工具。
118 chemical shifts of 18 pyridine and quinoline compounds were simulated by multivariate regression analysis and artificial neural network. The chemical and chemical structures of 18 pyridine and quinoline compounds were characterized by the spatial and electronic structure of carbon atoms. Good related model. Spectral simulation techniques are useful tools for the structural elucidation of chemical compounds and the identification of chemical shifts.