A STUDY OF TOPOLOGICAL ASSESSMENT OF HEXANE PARA-LINE GRAPHS WITH THE ANALYSIS OF THE CHEMICAL COMPOSITION

Mukhtar Ahmad, Ather Qayyum, Muhammad Maaz, Muhammad Muawwaz, Siti Suzlin Supadi

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 specic 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 rst and second multiple zagreb indices, the rst general zagreb index, the atomic bond connectivity index, the hyper zagreb index, the geometric arithmetic index, the general sum-connectivity index, the fth class of geometric arithmetic indices for hexane para-line graphs of multi-pentacene, linear pentacene and linear [n]-pentacene

Keywords


Graphs of hexane para-line, topological indices, pentacene, nanostructures, linear pentacene

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