Computing entire Zagreb indices of some dendrimer structures

Topological indices are numerical numbers associated to molecular graphs and are invariant of a graph. In QSAR/QSPR study, Zagreb indices are used to explain the different properties of chemical compounds at the molecular level mathematically. They have been studied extensively due to their ease of calculation and numerous applications in place of the existing chemical methods which needed more time and increased the costs. In this paper, we compute precise values of new versions of Zagreb indices for two classes of dendrimers.

Topological Descriptors of Poly Propyl Ether Imine (PETIM) Dendrimers

Topological descriptors, such as numeric number, a matrix, a sequence of numbers, or a polynomial, associated with a graph, are widely used to study physicochemical properties and QSAR/QSPR study. Several distances (eccentricity) and degree dependent topological indices are used to predict the bioactivity of several topological descriptors and polynomials of vastly used PETIM dendrimers.

Useful Irregularity Indices in QSPR Study for Bismuth Tri-Iodide

Topological indices give us a mathematical language to study molecular structures. They convert a chemical compound into a single number which foresees properties, for example, boiling points, viscosity, and the radius of gyrations. Drugs and other chemical compounds are often modeled as various polygonal shapes, trees, and graphs. In this paper, we will compute some irregularity indices for bismuth tri-iodide chain and sheet that are useful in the quantitative structure-activity relationship.