Abstract

In this article, we compute several distance-based topological indices dendrimers. Indeed, based on the distances of related graphs, we investigate the distance-based complexity of these graphs. We also, determine an orbit entropy measure of these structures based on the size of orbits. The analysis results obtained by computing the correlations between given numerical data shows that the correlation between Winer complexity with GP-index, Wiener index, and Wiener polarity is quite low. As a result, we have inferred that the Wiener-complexity can be considered as new measures for quantitative structure-activity relationship/quantitative structure-property relationship (QSAR/QSPR) models of dendrimers. Hence, the W-complexity might be interesting for further investigations in predicting the physicochemical properties of molecules.

摘要

在本文中，我们计算了几个基于距离的拓扑指数树枝状大分子。实际上，基于相关图的距离，我们研究了这些图的基于距离的复杂性。我们还根据轨道的大小确定这些结构的轨道熵度量。通过计算给定数值数据之间的相关性得到的分析结果表明，Winer复杂度与GP之间的相关性-指数、维纳指数和维纳极性相当低。因此，我们推断维纳复杂度可以被视为树枝状大分子定量构效关系/定量构效关系 (QSAR/QSPR) 模型的新度量。因此，W-复杂性对于预测分子的物理化学性质的进一步研究可能很有趣。