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Chemical Applicability of Newly Introduced Topological Invariants and Their Relation with Polycyclic Compounds

Dilshad Alghazzawi, Ali Raza, Usama Munir, Md. Shajib Ali

2022Journal of Mathematics12 citationsDOIOpen Access PDF

Abstract

In quantitative structure‐property and structure‐activity relationships studies, several graph invariants, namely, topological indices have been defined and studied due to their numerous applications in computer networks, biotechnology, and nanochemistry. Topological indices are numeric parameters that describe the biological, physical, and chemical properties depending on the structure and topology of different chemical compounds. In this article, we inaugurated some degree‐based novel indices, namely, geometric‐harmonic GHI, harmonic‐geometric (HGI), neighborhood harmonic‐geometric (NHGI), and neighborhood geometric‐harmonic (NGHI) indices and verified their chemical applicability. Furthermore, an attempt is made to calculate analytical closed formulas for different variants of silicon carbides and analyze the obtained results graphically.

Topics & Concepts

MathematicsRelation (database)Pure mathematicsAlgebra over a fieldTopology (electrical circuits)CombinatoricsData miningComputer scienceGraph theory and applicationsComputational Drug Discovery MethodsSynthesis and Properties of Aromatic Compounds