ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

A regression-driven study of entropy growth in graph-theoretic models of lithium manganese arsenide

Muhammad Farhan Hanif, Atef F. Hashem, Mazhar Hussain, and Ebraheem Alzahrani

Department of Mathematics and Statistics, The University of Lahore, Lahore, Pakistan

E-mail: farhanlums@gmail.com

Received: 4 June 2025  Accepted: 8 July 2025

Abstract:

This work is an in-depth study of the topological complexity of Lithium Manganese Arsenide (LiMnAs) through the application of chemical graph theory. By representing the molecular structure in graph form, a number of Zagreb-type topological indices were computed to quantify the connectivity and geometry of the extended LiMnAs lattice. Corresponding Shannon entropies were obtained from the indices for measuring the irregularity and information content in the molecular graph. A logarithmic regression model was utilized to determine the quantitative relationship between every index and its corresponding measure of entropy. The findings show strong logarithmic fits, confirming the application of topological indices as good descriptors of structural entropy. In addition, violin plots were utilized for the visualization of indices and measures of entropy, and the subtleties in structural behavior were highlighted. These results help in the topological characterization of LiMnAs and pave the way for its usage in materials physics and science.

Keywords: Lithium manganese arsenide; Logarithmic regression model; Topological indices; Shannon entropy; Chemical graph theory; Violin plots; Complexity analysis

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-025-04245-8

Chemical Papers 79 (10) 7053–7070 (2025)