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本文试图改进Kier和Hall提出的分子连接性指数,提供一种更加完美的分子表征和分子设计技术。根据分子连接性指数定义,本文对其进行几何平均修正,使其更具解释性和丰富的含义,并命名为几何平均连接性指数(GMCI)。新的分子连接性指数用于一组含3-8个碳原子的烷烃7种性质的QSAR/QSPR研究,统计结果表明,由几何平均连接性指数所建模型普遍比传统的分子连接性指数所建模型要好。
This paper attempts to improve the molecular connectivity index proposed by Kier and Hall, providing a more perfect molecular characterization and molecular design techniques. According to the definition of molecular connectivity index, this article geometric correction to make it more explanatory and rich meaning, and named the geometric mean connectivity index (GMCI). The new molecular connectivity index is used for QSAR / QSPR studies of a group of seven properties of alkanes with 3-8 carbon atoms. The statistical results show that the geometric mean connectivity index model is generally better than the traditional molecular connectivity index Modeling is better.