Topological index is a numerical value associated with a chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on neighborhood degree sum of nodes are proposed. To make the computation of the novel indices convenient, an algorithm is designed. Quantitative structure property relationship (QSPR) study is a good statistical method for investigating drug activity or binding mode for different receptors. QSPR analysis of the newly introduced indices is studied here which reveals their predicting power. A comparative study of the novel indices with some well-known and mostly used indices in structure-property modelling and isomer discrimination is performed. Some mathematical properties of these indices are also discussed here.

拓扑指数是与化学组成相关的数值，用于使化学结构与各种物理性质，化学反应性或生物活性相关。在这项工作中，提出了一些基于节点邻域度和的新指标。为了方便新指标的计算，设计了一种算法。定量结构性质关系（QSPR）研究是研究不同受体的药物活性或结合方式的良好统计方法。本文对新引入的指数进行QSPR分析，揭示了它们的预测能力。进行了新索引与结构属性建模和异构体识别中一些众所周知且最常用的索引的比较研究。这些索引的一些数学性质也在这里讨论。