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首先通过对分子图的顶点和边同时着色得到染色分子图．借助于相对键长和点价δｉ来分别代替拓扑距离以及顶点度ｖｉ，并结合邻接矩阵和距离矩阵提出了一个用于表征含多重键、杂原子化合物的拓扑指数Ｘｕ，研究了该拓扑指数与不饱和链烃、卤代苯的溶解度，正辛醇／水分配系数的相关性．结果表明Ｘｕ指数与上述理化性质均具有良好的相关性，肯定了本方法的合理性和有效性，该指数可望在定量结构－性质／活性关系（ＱＳＰＲ／ＱＳＡＲ）研究中作为一个有用的分子参数而获得广泛应用
First, we get the molecular map by coloring the vertices and edges of the molecular graph simultaneously. By means of the relative bond length and the valence δi, instead of the topological distance and the vertex degree vi respectively, a topological index Xu for compound containing multiple bonds and heteroatom compounds is proposed based on the adjacency matrix and the distance matrix. The topological index and Unsaturated chain hydrocarbons, the solubility of halogenated benzene, n-octanol / water partition coefficients. The results show that the Xu index has a good correlation with the above physicochemical properties, affirming the rationality and effectiveness of the method, which is expected to be a useful molecule in the QSPR / QSAR study The parameters are widely used