On neighborhood Zagreb index of product graphs.

J Mol Struct

Department of mathematics, National Institute of Technology Durgapur, West Bengal 713209, India.

Published: January 2021

AI Article Synopsis

  • The article introduces a new topological index called the neighborhood Zagreb index, which helps predict the physical and chemical properties of molecules based on their structures.
  • The effectiveness of this index is demonstrated through its ability to provide high accuracy in comparison to existing indices, especially in distinguishing between isomers.
  • The paper includes examples, such as the chemical structures of favipiravir and hydroxychloroquine, and derives specific results for various product graphs related to the new index.

Article Abstract

The properties and activities of chemicals are strongly related to their molecular structures. Topological indices defined on these molecular structures are capable to predict those properties and activities. In this article, a new topological index named as neighborhood Zagreb index ( ) is presented. Here the chemical importance of the index is investigated and it is shown that the newly introduced index is useful in predicting physico-chemical properties with high accuracy compared to some well-established and often used indices. The isomer-discrimination ability of is also examined. To demonstrate how the computational formula of the novel index for chemical compounds is simple and convenient, the chemical structures of favipiravir and hydroxychloroquine are used. In addition, some explicit results for this index of different product graphs such as Cartesian, tensor and wreath product are derived. Some of these results are applied to obtain the index of some special structures.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7474663PMC
http://dx.doi.org/10.1016/j.molstruc.2020.129210DOI Listing

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