On topological indices of some chemical graphs

Abstract

AbstractThis research delves into the application of topological indices in predicting the physico-chemical properties of chemical materials. These indices have been employed in various QSAR and QSPR studies, providing a mathematical formulation to predict properties such as viscosity and radius of gyrations Rucker and Rucker [J. Chem. Inf. Comput. Sci. 39, 788–802, (1999)]. We explore several indices, including the forgotten topological index, inverse sum index, general sum connectivity index and first multiplicative atom bond connectivity index, and investigate their usefulness in predicting bio-activity and anti-inflammatory activities of certain chemical compounds. Specifically, we focus on the 2D allotrope structure, TiO2 nanotubes and dominating oxide and silicate chemical networks. We present a 3D graphical trend of these indices and perform a comparison to facilitate the observation of physical-chemical properties of these materials for researchers.KEYWORDS: Forgotten indexinverse sum indextrimethylpentaneTiO2 nanotubes Disclosure statementNo potential conflict of interest was reported by the author(s).Authors ContributionMuhammad Aqib: Methodlogy, Software, Investigation, Data Correction, Writing, Draft preparation; Mehar Ali Malik: Verification, Proofreading, Conceptualisation, Methodology, Review, Proofreading; Hafiz Usman Afzal: Validation, Resources; Tahzeeb Fatima: Formal Analysis, Resources; Yasir Ali: Visualisation, Project Administration. All authors have read and agreed to the published version of the manuscript.Data availabilityAll data generated or analysed during this study are included in this published article.