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Dendrimers are highly branched macromolecules. The structural chemistry of dendrimers could be shaped by their topological invariants to target the particular design with appropriate properties to bring the drugs to mark a carrier vehicle. This study is about some new topological indices of dendrimer generations. Here, we calculate K Banhatti indices for five generations of dendrimers. Precisely speaking, we computed the 1st K Banhatti redefined Zagreb index, 2nd K Banhatti redefined Zagreb indices, and 3rd K Banhatti redefined Zagreb index for the dendrimers Dip for i=1,2,3,4,5.

Dendrimers are highly branched, star-shaped macromolecules with nanometer-scale dimensions. Dendrimers are defined by three components: a central core, an interior dendritic structure (the branches), and an exterior surface with functional surface groups. Topological indices are numerical numbers that help us to understand the topology of different dendrimers and can be used to predict the properties without performing experiments in the wet lab. In the present paper, we computed the Sombor index and the reduced version of the Sombor index for the molecular graphs of phosphorus-containing dendrimers, porphyrin-cored dendrimers, PDI-cored dendrimers, triazine-based dendrimers, and aliphatic polyamide dendrimers. We also plotted our results by using Maple 2015 which help us to see the dependence of the Sombor index and reduced Sombor index on the involved parameters. Our results may help to develop better understanding about phosphorus-containing dendrimers, porphyrin-cored dendrimers, PDI-cored dendrimers, triazine-based dendrimers, and aliphatic polyamide dendrimers. Our results are also useful in the pharmaceutical industry and drug delivery.

Silicon carbide (SiC), also called carborundum, is a semiconductor containing silicon and carbon. Dendrimers are repetitively branched molecules that are typically symmetric around the core and often adopt a spherical three-dimensional morphology. Bismuth(III) iodide is an inorganic compound with the formula BiI3. This gray-black solid is the product of the reaction between bismuth and iodine, which once was of interest in qualitative inorganic analysis. In chemical graph theory, we associate a graph to a compound and compute topological indices that help us in guessing properties of the understudy compound. A topological index is the graph invariant number, calculated from a graph representing a molecule. Most of the proposed topological indices are related either to a vertex adjacency relationship (atom-atom connectivity) in the graph or to topological distances in the graph. In this paper, we aim to compute the first and second Gourava indices and hyper-Gourava indices for silicon carbides, bismuth(III) iodide, and dendrimers.

Dendrimers are rising polymeric structures known for their flexibility in medication conveyance and high usefulness, whose properties are same biomolecules. These nanostructured macromolecules have shown potential capacities in capturing as well as conjugating the high subatomic weight hydrophilic/hydrophobic substances by host-visitor collaborations and covalent holding (prodrug approach) individually. In quantitative structure-property relationships (QSPR), topological indices are utilized to gather properties of dendrimers. Topological indices catch symmetry of dendrimer structures and give it a logical reasoning to predict properties, for instance, viscosity, boiling points, the radius of gyrations, etc. In this report, we intend to examine dendrimers through irregularity indices that are valuable in QSPR studies. We studied sixteen irregularity indices if diverse dendrimer structures.

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.