Computation of Degree Based Molecular Descriptors and Entropies Coronene Fractal Structures

Muhammad  Asif Javed; A. Q.   Baig; Mukhtar Ahmad Mukhtar; Suzila Binti Mohd Kasim; Ibrahim K. Alsulami; Ather Qayyum

doi:10.5269/bspm.76247

Muhammad Asif Javed Department of Mathematics, Institute of Southern Punjab Multan, Pakistan.
A. Q. Baig Department of Mathematics, Institute of Southern Punjab Multan, Pakistan.
Mukhtar Ahmad Mukhtar Khawja Fareed University of Engineering and Information Technology Rahim Yar Khan
Suzila Binti Mohd Kasim Department of Mathematics, Centre of Foundation Studies Universiti Teknologi MARA Cawangan Selangor, Malaysia
Ibrahim K. Alsulami Department of Science, King Abdulaziz Military Academy (KAMA), Riyadh, Saudi Arabia
Ather Qayyum Gulf University Bahrain

Abstract

The molecular makeup of a substance is a key factor in determining its properties and potential uses, and it is a factor that must be considered in the first stage of drug production. In spite of the structure of the graph, topological indices offer a mathematical foundation for describing the topology of the network. These indexes include a wealth of knowledge regarding the molecular structure of chemical substances. Researchers use Randic, atom-bond,$(ABC_4)$ geometric-arithmetic (GA), and Sanskurti entropy S(G) topological indices in addition to physicochemical parameters and QSAR/QSPR studies to predict the bio-activity of chemical compounds. In order to analyse the quantitative structure-application and structure-property relationships of the chemical compound, the obtained data is used. In this particular research study, we focus on extracting Entropy and Degree Based Molecular descriptors of two dimensional coronene fractal structures (such as first, second and third degree), as well as entropy and connectivity indices like the Zagreb index, atom-bond connectivity entropy, geometry arithmetic entropy, and Sanskurti entropy are all computed.

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