Chemical applicability of GQ and QG indices of a graph and their bounds

Abstract

Topological indices have become an essential tool to investigate theoretical and practical problems in various scientific areas. In chemical graph theory, a significant research work, which is associated with the topological indices, is to deduce the ideal bounds and relationships between known topological indices. Mathematical development of the novel topological index is valid only if the topological index shows a good correlation with the physico-chemical properties of chemical compounds. In this article, the chemical applicability of the novel GQ and QG indices is calibrated over physico-chemical properties of 22 benzenoid hydrocarbons. The GQ and QG indices predict the physico-chemical properties of benzenoid hydrocarbons, significantly. Additionally, this work establishes some mathematical relationships between each of the GQ and QG indices and each of the graph invariants: size, degree sequences, maximum and minimum degrees, and some well-known degree-based topological indices of the graph. © 2025 The Author(s).