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Open Access Research Article

Calculation and analysis of some degree-based topological indices with the general inverse sum indeg index approach and using (a, b)-Nirmala index on pharmaceutical structures

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pp. 2621–2643Vol. 28Issue 7October 2025DOI: 10.47974/JDMSC-1843 Crossmark XML
Received:
05 Apr 2023
Published Online:
12 Jul 2025
Article type:
Research Article
Language:
EN
Article no.:
JDMSC-1843
Pages:
2621–2643

Abstract

Investigating the structures of existing drugs is an approach to developing new clinical applications that go beyond the scope of the original medical prescription for known drugs. Chemical graph theory is effective in the development of chemistry, and one of its applications is topological indices, which are used in chemistry to calculate the chemical and physical properties of molecular graphs. In this article, first, the inverse sum indeg index and (a, b)-Nirmala index ((a, b)-NI) is obtained for the molecular graph and the line graph (LG) of Ribavirin, Azvudine, Leflunomide, Teriflunomide. These drugs are used to develop efficient inhibitors of SARSCOV-2. Then, with the help of mathematical relations on the above indices, topological indices are obtained for these structures and the results are expressed.

Keywords

Subject Classifications

05C3505C7692E10

References

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