Research Article Computation of Vertex Degree-Based Molecular Descriptors of Hydrocarbon Structure Zeeshan Saleem Mufti , 1 Rukhshanda Anjum , 1 Ayesha Abbas, 1 Shahbaz Ali , 2 Muhammad Afzal, 3 and Ashraful Alam 4 1 Department of Mathematics and Statistics, e University of Lahore, Lahore Campus, Pakistan 2 Department of Mathematics, Khawaja Fareed University of Engineering and Information Technology, Rahim Yar Khan 64200, Pakistan 3 Department of Mathematics, Division of Science and Technology, University of Education, Lahore, Pakistan 4 Department of Mathematics, Jahangirnagar University, Savar, Dhaka, Bangladesh CorrespondenceshouldbeaddressedtoAshrafulAlam;ashraf_math20@juniv.edu Received 6 October 2021; Accepted 22 December 2021; Published 5 January 2022 AcademicEditor:ShaohuiWang Copyright©2022ZeeshanSaleemMuftietal.isisanopenaccessarticledistributedundertheCreativeCommonsAttribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Topologicalindicesaresuchnumbersorsetofnumbersthatdescribetopologyofstructures.Nearly400topologicalindicesare calculatedsofar.eprognosticationofphysical,chemical,andbiologicalattributesoforganiccompoundsisanimportantand stillunsolvedproblemofcomputationalchemistry.Topologicalindexisthetooltopredictthephysicochemicalpropertiessuchas boiling point, melting point, density, viscosity, and polarity of organic compounds. In this study, some degree-based molecular descriptors of hydrocarbon structure are calculated. 1.Introduction einventionofgraphtheoryin18 th centurywasabiggest game changer in the field of mathematics by a Swiss MathematicianLeonardEuler(1702–1782).Heusedgraphs totacklethefamousproblemofKonigsbergbridge[1,2].In this study, G �(V , E) is a simple undirected graph con- tainingasetofvertices V andanedgesset E [3].enumber of lines connected to a vertex is called a degree of a vertex and is denoted by Deg u . Topologicalindicesinvestigatethefeaturesofgraphsthat persist constant after continual changing in graph. ey describe symmetry of chemical structures with a number and then work for the improvement of QSAR and QSPR which both are employed to build a connection among the molecular structure and mathematical tools. ese indices are useful to associate physiochemical properties of compounds (such as entropy, boiling and melting point, flammability, and many more). Topological indices are invariants of structures, so they areindependentofpictorialrepresentation[4].Amongthree categories of molecular descriptors, vertex degree-based indicesareconsiderablysignificant.Medicineindustriesare producing new and advanced medicines which are effective for mankind and ecology. Graph theory and molecular descriptors are playing a significant role in analysing the physiochemical properties of organic compounds. Hydrocarbon structure is an aromatic hydrocarbon and a unique structure composed of benzene through covalent bond.erearesixsigmaandsixpibondsineachbenzene ring present in this compound. It is a nonpolar structure, andeachbenzenehasabondangleof120 ° .Itcanbeusedin makingofplastic,nylon,anddyes.Itcannotbedissolvedin water but in organic solvents. It has a sharp melting point Hindawi Journal of Chemistry Volume 2022, Article ID 3621403, 15 pages https://doi.org/10.1155/2022/3621403