Comparative study of Sombor index and its various versions using regression models for top priority polycyclic aromatic hydrocarbons

B Kirana, MC Shanmukha, A Usha - Scientific Reports, 2024 - nature.com
The aromatic compounds having structural configurations with two or more fused benzene
rings are the polycyclic aromatic hydrocarbons (PAHs). Topological indices are valuable …

[HTML][HTML] Human endocrine-disrupting effects of phthalate esters through adverse outcome pathways: a comprehensive mechanism analysis

Y Li, H Yang, W He, Y Li - International Journal of Molecular Sciences, 2023 - mdpi.com
Phthalate esters (PAEs) are widely exposed in the environment as plasticizers in plastics,
and they have been found to cause significant environmental and health hazards, especially …

Efficient molecular recognition of polycyclic aromatic hydrocarbons by X-diimide-pillar [4, 6] arenes

W Wang, Y Zuo, Z **, H Yuan, M He, J **e - Computational and Theoretical …, 2025 - Elsevier
Polycyclic aromatic hydrocarbons (PAHs) are a kind of carcinogenic substances, which exist
widely in the environment. In order to effectively control PAHs, a molecular recognition …

On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon

X Zuo, A Jahanbani, M Cancan - Polycyclic Aromatic Compounds, 2024 - Taylor & Francis
A variety of graphical invariants have been described and tested, offering lots of applications
in the fields of nanochemistry, computational networks, and different scientific research …

On Degree Based Topological Properties of the Molecular Structure of Polycyclic Aromatic Hydrocarbons

A Jahanbani, J Amjadi, H Shooshtari… - Polycyclic Aromatic …, 2023 - Taylor & Francis
There is a strong correlation between the properties of their molecular structure based on
medical experiments. The molecular structure of drugs contains all of the information for …

A Degree Based Topological Study of Two Carbon Nanosheets and

M Ishtiaq, A Rauf, Q Rubbab, MK Siddiqui… - Polycyclic Aromatic …, 2022 - Taylor & Francis
Nanomaterials are chemical compounds or substances which are moderately produced and
used. Nanomaterials are engineered to reveal novel properties of nanocells that contrast …

Degree Based Weighted Entropy Indices of Polycyclic Aromatic Hydrocarbons

J Amjadi, H Shooshtari, A Jahanbani… - Polycyclic Aromatic …, 2023 - Taylor & Francis
The topological index is a molecular predictor that is commonly supported in the research of
QSAR of pharmaceuticals to numerically quantify their molecular features. Entropic network …

A study on the reverse Euler Sombor index of various graphs

B Kirana, MC Shanmukha, A Usha - 2024 - researchsquare.com
In this paper an attempt to define vertex degree-based topological index, reverse Euler
Sombor index is made and established its mathematical properties. Reverse Euler Sombor …

[PDF][PDF] Wiener Index Calculation on the Benzenoid System: A Review

DA Johar, AK Supriatna, E Carnia - academia.edu
The Weiner index is considered one of the basic descriptors of fixed interconnection
networks because it provides the average distance between any two nodes of the network …

Inverse and Hyper Zagreb indices: application to quantitative structure properties relationship

AN Alias, Z Mohamed Zabidi, NA Zakaria… - Mathematical …, 2021 - ir.uitm.edu.my
The topology index can be derived from molecular connectivity, which can be related to the
chemical or physical properties of molecules. The topology indices of alkanes are calculated …