Neighborhood version of molecular descriptors for benzene type ring graphs

This study explores the utilization of topological graph invariants, or molecular descriptors, to mathematically model chemical compounds. These descriptors are vital in quantifying the physio-chemical characteristics of a compound, and are commonly represented as shapes such as polygons, bushes, and grapes. Specifically, this research focuses on computing selected fifth multiplicative first and second Zagreb indices, third and fourth multiplicative general fifth multiplicative Zagreb indices, and other degree-based topological indices for the benzene ring graph ([Formula: see text] and the simple bounded dual of benzene ring graph ([Formula: see text]. The findings of this study are then compared to demonstrate the impact of these molecular descriptors.

Authors

Institutions

Publication Details

Journal
Journal of Micromechanics and Molecular Physics
Published
2024-12-01
DOI
https://doi.org/10.1142/s2424913024500164
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Neighborhood version of molecular descriptors for benzene type ring graphs

Parvez Ali, Syed Ajaz K. Kirmani, Mah Jabeen
Journal of Micromechanics and Molecular Physics
Computational Drug Discovery Methods
article

Neighborhood version of molecular descriptors for benzene type ring graphs

Parvez Ali, Syed Ajaz K. Kirmani, Mah Jabeen
article en

Abstract

This study explores the utilization of topological graph invariants, or molecular descriptors, to mathematically model chemical compounds. These descriptors are vital in quantifying the physio-chemical characteristics of a compound, and are commonly represented as shapes such as polygons, bushes, and grapes. Specifically, this research focuses on computing selected fifth multiplicative first and second Zagreb indices, third and fourth multiplicative general fifth multiplicative Zagreb indices, and other degree-based topological indices for the benzene ring graph ([Formula: see text] and the simple bounded dual of benzene ring graph ([Formula: see text]. The findings of this study are then compared to demonstrate the impact of these molecular descriptors.

Journal of Micromechanics and Molecular PhysicsVol. 09(04)
Qassim University (SA), Buraydah Colleges (SA), University of Sialkot
Openalex Percentile: Top 74%
Computational Drug Discovery Methods
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.