Computing Molecular Descriptors of Polyphenylene Dendrimer
Jia‐Bao Liu, D. Antony Xavier, Eddith Sarah Varghese, Annmaria Baby, Deepa Mathew · Polycyclic aromatic compounds · 2023
Dendrimers are hyperbranched monodisperse macromolecules with constraint size and are shape persistent. Topological indices are numerical parameters that provide a correlation with the chemical, physical, and biological properties of the molecular structure. We have computed distance based molecular descriptors of polyphenylene dendrimer using the technique, quotient of quotient graphs, and analyzed a graphical comparison. This technique helps in obtaining numerical expressions of molecular descriptors on complex chemical structures. Our results help in better understanding of the properties of polyphenylene dendrimer which can be used in drug design.