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Distance complexity measures versus the orbit-entropy measure of dendrimers
Fullerenes, Nanotubes and Carbon Nanostructures  (IF1.869),  Pub Date : 2021-08-09, DOI: 10.1080/1536383x.2021.1955246


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.