食品香味物质自相关拓扑指数与理化性质的定量关系

Quantitative structure-activity relationship of the aromatic matter in food using autocorrelation topological index

计算了食品中香味物质———酯类与酮类的自相关拓扑指数 ,分别与色谱保留值、阈值进行逐步回归分析 ,得出相应的QSPR方程。结果表明自相关拓扑指数与色谱保留值、阈值之间存在较好的线性关系。

A brief review of autocorrelation topological index(ATI),the ATI of the aromatic matter in food was given.The QSPR equation showed to be an excellent model.The results indicated that ATI was linearly related to chromatographic retain index and threshold value.