Neighborhood degree sum-based molecular descriptors of fractal and Cayley tree dendrimers
Department of Mathematics, National Institute of Technology Durgapur, 713209, Durgapur, West Bengal, India
2 Department of Basic Sciences and Humanities (Mathematics), Calcutta Institute of Engineering and Management, Kolkata, India
Accepted: 2 March 2021
Published online: 9 March 2021
Topological index is a connection between the chemical structure and the real number that remains invariant under graph isomorphism. In structure–property and structure–activity modeling, topological indices are considered as essential molecular descriptors to predict different physicochemical properties of molecule. Dendrimers are considered to be the most significant, commercially accessible basic components in nanotechnology. In this report, some neighborhood degree sum-based molecular descriptors are obtained for the fractal tree and the Cayley tree dendrimers. Neighborhood M-polynomial yields a family of topological indices for a molecular graph in less time compared to the usual computation from their definitions. Some indices are obtained using neighborhood M-polynomial approach. In addition, some multiplicative neighborhood degree sum-based molecular descriptors are evaluated for fractal and Cayley tree dendrimers. The graphical representations of the outcomes are presented. A comparative study of the findings with some well-known degree-based indices is performed. Usefulness of the descriptors in modeling different properties and activities is discussed.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021