中文摘要：

为了研究化合物结构与其气味特征之间的相关性，以原子类型电拓扑状态指数（E-状态指数）为描述子表征了苯乙醇相关化合物的空间拓扑结构，并对苯乙醇相关化合物与苯乙醇气味特征的相似性进行了定量评价；在此基础上，建立了苯乙醇气味特征定量构-香关系模型，对苯乙醇相关化合物进行了预测。结果表明，该模型具有较好的稳定性以及较好的内部和外部预测能力，能实现对某一类物质气味特征的预测，可以作为香原料合成与开发过程中的辅助手段。

英文摘要：

In order to study the structure-odor relationship of compounds, the spatial topological structure of the compounds relative to phenyl alcohol in chemical structure were characterized by electrotopological state （E- state） index for atom, and the similarity of odor characteristics between these compounds and phenyl alcohol was quantitatively evaluated. As a result, a quantitative structure-odor relationship model for phenyl alcohol was built and applied to its relative compounds for predicting the odor similarity. The results showed that the model possessed relatively good stability and prediction ability, it was capable of predicting the odor characteristics of the compounds of a certain kind and could be used as an aid in the synthesis and development of flavor material.