Innovative Edge-Centric Topological Measures for Enhanced Chemical Structure Characterization

  • Unique Paper ID: 189156
  • Volume: 12
  • Issue: 7
  • PageNo: 7688-7692
  • Abstract:
  • In chemical graph theory, topological indices play a crucial role in correlating the structural properties of chemical compounds with their physicochemical characteristics and biological activities. In this study, we investigate the edge versions of several well-known degree-based topological invariants, including the Zagreb indices, Randic index, and atom-bond connectivity (ABC) index, for important chemical structures. The edge-based approach focuses on the relationships between adjacent edges, providing a refined mathematical framework that captures additional structural information often overlooked in vertex-based models. Exact analytical expressions for these edge invariants are derived, and comparative analyses are performed to explore their behavior across different molecular frameworks. The results demonstrate that edge versions of these indices offer deeper insights into molecular stability, branching, and resonance characteristics.

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

BibTeX

@article{189156,
        author = {Dr. P. Mahesh Kumar and Dr.M.Sindhu},
        title = {Innovative Edge-Centric Topological Measures for Enhanced Chemical Structure Characterization},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {12},
        number = {7},
        pages = {7688-7692},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=189156},
        abstract = {In chemical graph theory, topological indices play a crucial role in correlating the structural properties of chemical compounds with their physicochemical characteristics and biological activities. In this study, we investigate the edge versions of several well-known degree-based topological invariants, including the Zagreb indices, Randic index, and atom-bond connectivity (ABC) index, for important chemical structures. The edge-based approach focuses on the relationships between adjacent edges, providing a refined mathematical framework that captures additional structural information often overlooked in vertex-based models. Exact analytical expressions for these edge invariants are derived, and comparative analyses are performed to explore their behavior across different molecular frameworks. The results demonstrate that edge versions of these indices offer deeper insights into molecular stability, branching, and resonance characteristics.},
        keywords = {QSPR, Topological Indices, Grid graph and descriptor.},
        month = {December},
        }

Cite This Article

Kumar, D. P. M., & Dr.M.Sindhu, (2025). Innovative Edge-Centric Topological Measures for Enhanced Chemical Structure Characterization. International Journal of Innovative Research in Technology (IJIRT), 12(7), 7688–7692.

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