Due to significant advancements being made in the field of drug design, the use of
topological descriptors remains the primary approach. When combined with QSPR models …

Abstract Covalent organic frameworks (ZnP-COFs) made of zinc-porphyrin have become
effective materials with a variety of uses, including gas storage and catalysis. To simulate the …

Topological indices are invariant numerical quantities of a graph that give facts about the
structure of graphs and are found to be very helpful in predicting the physical properties of …

In this paper, we dealt with two very well-known eigenvalue-based molecular descriptors
such as the energy of graph (E (G)) and Estrada index (EE (G)). We test their predictive …

The primary area of research in all branches of science and engineering is the production of
low-cost goods considering the recent global economic crisis. Making small-scale …

In this article, a novel technique to evaluate and compare the neighborhood degree
molecular descriptors of two variations of the carbon nanosheet C 5 C 7 (a, b) is presented …

A carbon-based material with a broad scope of favourable developments is called
graphene. Recently, a graphene nanoribbon with cove-edged was integrated by utilizing a …

Porphyrazine is a macrocyclic molecule that has potential uses in biology and materials
research. In this work, we investigate the topological characteristics of porphyrazine via …

New developments in the field of chemical graph theory have made it easier to comprehend
how chemical structures relate to the graphs that underlie them on a more profound level …

A chemical graph is a graphical representation of the molecular structure of a chemical
compound, showing the atoms of the compound and the bonds between them. Chemical …