No abstract

On the great success of bond‐additive topological indices such as Szeged, Padmakar‐Ivan, Zagreb, and irregularity measures, yet another index, the Mostar index, has been introduced recently as a quantitative refinement of the distance nonbalancedness and also a peripherality measure in molecular graphs and networks. In this direction, we introduce other variants of bond‐additive indices, such as edge‐Mostar and total‐Mostar indices. The present article explores a computational technique for Mostar, edge‐Mostar, and total‐Mostar indices with respect to the strength‐weighted parameters. As an application, these techniques are applied to compute the three indices for the family of coronoid and carbon nanocone structures.

The edge-Wiener index is conceived in analogous to the traditional Wiener index and it is defined as the sum of distances between all pairs of edges of a graph G. In the recent years, it has received considerable attention for determining the variations of its computation. Motivated by the method of computation of the traditional Wiener index based on canonical metric representation, we present the techniques to compute the edge-Wiener and vertex-edge-Wiener indices of G by dissecting the original graph G into smaller strength-weighted quotient graphs with respect to Djoković-Winkler relation. These techniques have been applied to compute the exact analytic expressions for the edge-Wiener and vertex-edge-Wiener indices of coronoid systems, carbon nanocones and SiO 2 nanostructures. In addition, we have reduced these techniques to the subdivision of partial cubes and applied to the circumcoronene series of benzenoid systems.

No abstract

The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.