Degree-based topological indices and QSPR analysis of lung cancer Drugs
Département of Mathematics, Kongu Arts and Science collège, Erode.
Research Article
Global Journal of Engineering and Technology Advances, 2024, 19(03), 079–102.
Article DOI: 10.30574/gjeta.2024.19.3.0100
Publication history:
Received on 29 April 2024; revised on 09 June 2024; accepted on 12 June 2024
Abstract:
A numerical value that characterizes the topology of a graph G is called topological index. It represents the theoretical characteristics of the chemical com- pounds when applied to their molecular structure. In this study, the chemical structures of lung cancer drugs are analyzed using well-known Degree-Based topological indices. The elements of a chemical structure are viewed as vertices, and the boundaries that separate them are represented as edges, in a graph. Furthermore, QSPR analysis of the said topological indices are discussed, and it is shown that these topological indices are highly correlated with the Physical properties of Lung cancer drugs. This theocratic approach may assist chemists and those working in the pharmaceutical industry in predicting the qualities of lung cancer drugs without experimenting.
Keywords:
Topological indices; Lung cancer; QSPR; Physical properties; Molecular structure
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