Abstract
Abstract
Molecular descriptors play a powerful role in encoding the information of a chemical compound using its molecular structure based on a defined algorithm. Regardless of the evolution in drug design, the main tool used in discovering the lead molecules of a drug refers to the use of topological descriptors. This article focusses on M-polynomial of multilayered graphene, viz., monolayer, bilayer and trilayer. Using the M-polynomial, eleven degree-based topological indices are derived for the said three structures. 3D-plot of the polynomials shows variation among the three types of graphene. The numerical and graphical comparison of the indices for varying values of n are tabulated for better understanding.
Subject
Condensed Matter Physics,Mathematical Physics,Atomic and Molecular Physics, and Optics
Reference42 articles.
1. An atom-bond connectivity index: modelling the enthalpy of formation of alkanes;Estrada;Journal of Chemistry,1998
2. Forgotten topological index of chemical structure in drugs;Gao;Saudi Pharmaceutical Journal,2016
3. Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID-19 patients;Kirmani;Int. J. Quantum Chem.,2021
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献