On topological indices of some chemical graphs

Aqib, M. (author)

Malik, M. A. (author)

Afzal, H. U. (author)

Fatima, Tahzeeb (author): Gothenburg University,Göteborgs universitet,Institutionen för medicin, avdelningen för reumatologi och inflammationsforskning,Institute of Medicine, Department of Rheumatology and Inflammation Research

Ali, Y. (author)

(creator_code:org_t)

Related links:: https://gup.ub.gu.se...; show more...; https://doi.org/10.1...; show less...

Abstract Subject headings

This 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.

By the author/editor: Aqib, M.; Malik, M. A.; Afzal, H. U.; Fatima, Tahzeeb; Ali, Y.

About the subject

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