On Nirmala Indices-based Entropy Measures of Silicon Carbide Network Si2C3-III[α,β]

• Published in: SILICON 2024-08, Vol.16 (12), p.4971-4981
• Main Authors: Shilpa, H. C, Gayathri, K, Dharmendra, B. N., Nagesh, H. M, Siddiqui, Muhammad Kamran
• Format: Article
• Language: English
• Subjects: Carbide tools; Chemical compounds; Chemistry; Chemistry and Materials Science; Computer science; Entropy; Environmental Chemistry; Graph theory; Graphical representations; Graphs; Information theory; Inorganic Chemistry; Lasers; Materials Science; Mathematical analysis; Mathematics; Molecular structure; Numerical analysis; Optical Devices; Optics; Photonics; Polymer Sciences; Polynomials; Probability distribution; Regression models; Review; Silicon carbide; Topology
• ISSN: 1876-990X; 1876-9918
• DOI: 10.1007/s12633-024-03071-z

A numerical parameter, referred to as a topological index, is used for representing the molecular structure of a compound by analyzing its graph-theoretical characteristics. In the context of quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) studies, topological indices serve as predictive tools for the physicochemical properties of chemical compounds. Graph entropies have evolved into information-theoretic instruments for exploring the structural information of molecular graphs. In this research, we compute the Nirmala index, as well as the first and second inverse Nirmala index, for the silicon carbide network S i 2 C 3 - I I I [ α , β ] , using its M-polynomial. The comparison of the Nirmala indices and corresponding entropy measures are presented through numerical computation and 2D line plots. A regression model is built to investigate the relationship between the Nirmala indices and corresponding entropy measures.