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Title

A Study of Topological Assessment of Hexane Para-Line Graphes with the Analysis of the Chemical Composition.

Authors

Ahmad, M.; Qayyum, A.; Maaz, M.; Muawwaz, M.; Supadi, S. S.

Abstract

Topological indices (TIs) are widely utilized as molecular descriptors in the development of quantitative structure-activity relationships (QSAR), quantitative structure-property relationships (QSPR) and quantitative structure-toxicity relationships (QSTR). Molecular descriptors play a crucial role in mathematical chemistry, particularly in investigations involving quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR). A topological index represents a numerical mapping of a molecule's structure. It is employed to characterize the physicochemical properties of specific substances and remains unchanged under graph transformations. The focus of our study is to analyze the chemical composition of pentacene. Our research developed into various indices, including the general randic connectivity index, the first and second multiple zagreb indices, the first general zagreb index, the atomic bond connectivity index, the hyper zagreb index, the geometric arithmetic index, the general sum-connectivity index, the fifth class of geometric arithmetic indices for hexane para-line graphs of multi-pentacene, linear pentacene and linear [n]-pentacene.

Subjects

MATHEMATICAL chemistry; MOLECULAR connectivity index; ANALYTICAL chemistry; STRUCTURE-activity relationships; PENTACENE

Publication

Journal of Mathematical Extension, 2024, Vol 18, Issue 6, p1

ISSN

1735-8299

Publication type

Academic Journal

DOI

10.30495/JME.2024.2949