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1 引 言建立正确的函数关系或良好的模型和选择能表征化合物结构特征的描述符是关系到定量结构—性质相关 (ＱＳＰＲ)方法成功与否的两个重要环节。Ｒａｎｄｉｃ[1 ] 曾提出 ,一个良好的拓扑指数应当具备的最重要两点是 :(1 )包含丰富的分子结构信息 ,能充分反映分子图的连
1 Introduction Establishing correct functional relationships or good models and selecting descriptors that characterize the structural characteristics of compounds are two important aspects that are relevant to the success of quantitative structure-property correlation (QSPR) methods. Randic [1] proposed that the most important two points that a good topological index should have are: (1) it contains abundant molecular structure information, which can fully reflect the molecular structure