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为进一步提高分子连接性指数的结构选择性和性质相关性 ,在Randic指数 mχ的基础上 ,引入位置参数PF(官能团原子到分子中其它各原子距离之和 ) ,提出一种包含官能团位置信息的分子拓扑指数 mχF.C1～C10 37种醇类化合物的沸点与1χF 的相关性研究表明 ,1χF 不仅具有良好的结构选择性 ,而且对该类化合物的性质具有很好的预报能力 ,相关系数r=0 .9813,标准偏差s =6 .72 2 9,优于文献的多元相关结果
In order to further improve the structure selectivity and property correlation of molecular connectivity index, based on the Randic index mx, we introduce the position parameter PF (the sum of the distance between the functional atom and other atoms in the molecule) Molecular topological index mχF.C1 ~ C10 37 kinds of alcohols boiling point and 1χF correlation studies have shown that, 1χF not only has good structural selectivity, but also for the properties of these compounds have good predictability, the correlation coefficient r = 0.9813, the standard deviation s = 6 .72 2 9, which is better than the multivariate correlations of the literature