Topological Indices | List of Frontiers open access articles

Original Research

Published on 18 Aug 2025

QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices

in Theoretical and Computational Chemistry

C. Yogalakshmi
B. J. Balamurugan

Frontiers in Chemistry

doi 10.3389/fchem.2025.1599715

6,274 views
4 citations

Original Research

Published on 08 Aug 2024

Utilizing topological indices in QSPR modeling to identify non-cancer medications with potential anti-cancer properties: a promising strategy for drug repurposing

in Theoretical and Computational Chemistry

Shamaila Yousaf
Komal Shahzadi

Frontiers in Chemistry

doi 10.3389/fchem.2024.1410882

3,108 views
8 citations

Original Research

Published on 27 May 2024

On QSAR modeling with novel degree-based indices and thermodynamics properties of eye infection therapeutics

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Chemistry

doi 10.3389/fchem.2024.1383206

3,185 views
9 citations

Brief Research Report

Published on 20 Nov 2020

On Topological Indices of mth Chain Hex-Derived Network of Third Type

in Computational Physics

Yuhong Huo
Haidar Ali
Muhammad Ahsan Binyamin
Syed Sheraz Asghar
Usman Babar
Jia-Bao Liu

Frontiers in Physics

doi 10.3389/fphy.2020.593275

4,841 views
19 citations

Original Research

Published on 18 Apr 2024

Analyzing the role of reducible molecular descriptors and thermodynamic aspects of anti-tuberculosis drugs via QSPR study

in Chemical Physics and Physical Chemistry

Sajid Mahboob Alam
Niat Nigar
Muhammad Waheed Rasheed
Laiba Amin

Frontiers in Physics

doi 10.3389/fphy.2024.1383216

3,354 views
6 citations

Original Research

Published on 28 Oct 2025

Quantitative structure–property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices

in Theoretical and Computational Chemistry

A. Joy Prisca
B. Jaganathan

Frontiers in Chemistry

doi 10.3389/fchem.2025.1668093

2,556 views

Original Research

Published on 24 Sep 2024

Topological indices based VIKOR assisted multi-criteria decision technique for lung disorders

in Medicinal and Pharmaceutical Chemistry

Tahreem Ashraf
Nazeran Idrees

Frontiers in Chemistry

doi 10.3389/fchem.2024.1407911

3,046 views
11 citations

Original Research

Published on 02 Jan 2026

Entropy comparison of benzothiadiazole-based covalent-organic frameworks

in Theoretical and Computational Chemistry

Soniya Kurian
S. Roy
K. B. Gayathri
K. Jyothish

Frontiers in Chemistry

doi 10.3389/fchem.2025.1704165

1,239 views

Original Research

Published on 22 Sep 2021

Who Is Where in Marine Food Webs? A Trait-Based Analysis of Network Positions

in Marine Ecosystem Ecology

Anett Endrédi
Katalin Patonai
János Podani
Simone Libralato
Ferenc Jordán

Frontiers in Marine Science

doi 10.3389/fmars.2021.636042

6,547 views
15 citations

Original Research

Published on 09 Jul 2024

Elucidating structure–property relationships of guar gum biomolecules: insights from M-polynomial and QSPR modeling

in Theoretical and Computational Chemistry

Waheed Khalid
Shamaila Yousaf

Frontiers in Chemistry

doi 10.3389/fchem.2024.1410876

2,362 views
5 citations

Original Research

Published on 03 Feb 2021

Closed Formulas for Some New Degree Based Topological Descriptors Using M-polynomial and Boron Triangular Nanotube

in Theoretical and Computational Chemistry

Dong Yun Shin
Sabir Hussain
Farkhanda Afzal
Choonkil Park
Deeba Afzal
Mohammad R. Farahani

Frontiers in Chemistry

doi 10.3389/fchem.2020.613873

3,785 views
11 citations

Original Research

Published on 27 May 2024

Predictive modeling and regression analysis of diverse sulfonamide compounds employed in cancer therapy

in Theoretical and Computational Chemistry

Muhammad Danish
Tehreem Liaquat
Farwa Ashraf
Shahid Zaman

Frontiers in Chemistry

doi 10.3389/fchem.2024.1413850

3,313 views
9 citations

Original Research

Published on 26 Apr 2024

Analyzing the expected values of neighborhood degree-based topological indices in random cyclooctane chains

in Theoretical and Computational Chemistry

Liang Jing
Shamaila Yousaf
Saira Farhad
Fairouz Tchier
Adnan Aslam

Frontiers in Chemistry

doi 10.3389/fchem.2024.1388097

1,789 views
2 citations

Original Research

Published on 08 Apr 2024

Investigating the properties of octane isomers by novel neighborhood product degree-based topological indices

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1369939

3,367 views
8 citations

Original Research

Published on 18 Apr 2024

Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1381887

4,672 views
21 citations

Original Research

Published on 29 Oct 2025

Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices

in Theoretical and Computational Chemistry

E. Pandeeswari
J. Ravi Sankar

Frontiers in Chemistry

doi 10.3389/fchem.2025.1710442

2,443 views
1 citation

Articles

QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices

Utilizing topological indices in QSPR modeling to identify non-cancer medications with potential anti-cancer properties: a promising strategy for drug repurposing

On QSAR modeling with novel degree-based indices and thermodynamics properties of eye infection therapeutics

On Topological Indices of mth Chain Hex-Derived Network of Third Type

Analyzing the role of reducible molecular descriptors and thermodynamic aspects of anti-tuberculosis drugs via QSPR study

Quantitative structure–property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices

Topological indices based VIKOR assisted multi-criteria decision technique for lung disorders

Entropy comparison of benzothiadiazole-based covalent-organic frameworks

Who Is Where in Marine Food Webs? A Trait-Based Analysis of Network Positions

Elucidating structure–property relationships of guar gum biomolecules: insights from M-polynomial and QSPR modeling

Closed Formulas for Some New Degree Based Topological Descriptors Using M-polynomial and Boron Triangular Nanotube

Predictive modeling and regression analysis of diverse sulfonamide compounds employed in cancer therapy

Analyzing the expected values of neighborhood degree-based topological indices in random cyclooctane chains

Investigating the properties of octane isomers by novel neighborhood product degree-based topological indices

Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature

Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices