A new perspective on the modeling and topological characterization of H-Naphtalenic nanosheets with applications

A Ullah, A Zeb, S Zaman - Journal of Molecular Modeling, 2022 - Springer
In the past few years, two-dimensional (2D) layered nanomaterials have greatly attracted the
scientific community. Among 2D nanomaterials, the porphyrin-based Naphtalenic …

Study of some graph theoretical parameters for the structures of anticancer drugs

I Masmali, M Azeem, M Kamran Jamil, A Ahmad… - Scientific Reports, 2024 - nature.com
Eigenvalues have great importance in the field of mathematics, and their relevance extends
beyond this area to include several other disciplines such as economics, chemistry, and …

[HTML][HTML] Connection number-based molecular descriptors of skin cancer drugs

ANA Koam, M Azeem, A Ahmad, I Masmali - Ain Shams Engineering …, 2024 - Elsevier
Connection number-based molecular descriptors are one type of quantitative measure that
provides insight into the connectivity of atoms and bonds within a molecule. The …

Comparative study of entropies in silicate and oxide frameworks

M Arockiaraj, JC Fiona, AJ Shalini - Silicon, 2024 - Springer
Silicate and oxide frameworks are pervasive materials with remarkable structural complexity
and tunability, offering a wide range of applications in catalysis, gas storage, drug delivery …

Characterization of temperature indices of silicates

AR Khan, MU Ghani, A Ghaffar, HM Asif, M Inc - Silicon, 2023 - Springer
A topological index is a numerical value that describes the entire structure of a chemical
compound's molecular graph and aids in the understanding of its physical properties …

[HTML][HTML] Connecting SiO4 in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices

YF Zhang, MU Ghani, F Sultan, M Inc, M Cancan - Molecules, 2022 - mdpi.com
A topological index is a numerical parameter that is derived mathematically from a graph
structure. In chemical graph theory, these indices are used to quantify the chemical …

Connection number topological aspect for backbone DNA networks

A Ahmad, ANA Koam, I Masmali, M Azeem… - The European Physical …, 2023 - Springer
The present study investigates the complex topological characteristics of DNA networks, with
a specific emphasis on the innovative metric known as Connection Number (CN) as a key …

Edge based metric dimension of various coffee compounds

A Ahmad, ANA Koam, M Azeem, I Masmali, R Alharbi - Plos one, 2024 - journals.plos.org
An important dietary source of physiologically active compounds, coffee also contains
phenolic acids, diterpenes, and caffeine. According to a certain study, some coffee …

Fundamental aspects of the molecular topology of fuchsine acid dye with connection numbers

ANA Koam, A Ahmad, S Zaman, I Masmali… - The European Physical …, 2024 - Springer
Fuchsine acid serves as a supramolecular dye in Masson's trichrome stain, finding extensive
applications in histology. It is also utilized with picric acid in Van Gieson's method to reveal …

Computation of Zagreb polynomial and indices for silicate network and silicate chain network

MU Ghani, M Inc, F Sultan, M Cancan… - Journal of …, 2023 - Wiley Online Library
The connection of Zagreb polynomials and Zagreb indices to chemical graph theory is a
bifurcation of mathematical chemistry, which has had a crucial influence on the development …