On The QSPR Analysis of Degree Based Topological Indices of Drugs used in Peripheral Neuropathy

A numerical invariant that describes the topology of a graph G is known a topological index. The topological indices are ideal tools that can be used for analysing the structure of molecular graphs as it reflects the chemical properties of the molecules. In this article, the drugs used in the treatment of peripheral neuropathy are analysed with the help of topological indices and a QSPR analysis is done. The degree based topological indices are used for this structural analysis of chemical compounds of these drugs. The graph structure of a chemical component is derived from a chemical component by considering the toms as vertices and the bonds connecting two atoms as edges, the edge-partitions are noted and computed the topological indices. The correlation among the chemical properties of the drugs and the topological indices are computed. A detailed diagrammatic illustration of these correlation analyses is done. These comprehensive analyses may help scientists and chemist working in the drug design of peripheral neuropathy.

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Publication Details

Journal
Advances in Nonlinear Variational Inequalities
Published
2024-12-18
DOI
https://doi.org/10.52783/anvi.v28.2849
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

On The QSPR Analysis of Degree Based Topological Indices of Drugs used in Peripheral Neuropathy

Samuthira Nagarajan
Advances in Nonlinear Variational Inequalities
Computational Drug Discovery Methods
article

On The QSPR Analysis of Degree Based Topological Indices of Drugs used in Peripheral Neuropathy

Samuthira Nagarajan
article en

Abstract

A numerical invariant that describes the topology of a graph G is known a topological index. The topological indices are ideal tools that can be used for analysing the structure of molecular graphs as it reflects the chemical properties of the molecules. In this article, the drugs used in the treatment of peripheral neuropathy are analysed with the help of topological indices and a QSPR analysis is done. The degree based topological indices are used for this structural analysis of chemical compounds of these drugs. The graph structure of a chemical component is derived from a chemical component by considering the toms as vertices and the bonds connecting two atoms as edges, the edge-partitions are noted and computed the topological indices. The correlation among the chemical properties of the drugs and the topological indices are computed. A detailed diagrammatic illustration of these correlation analyses is done. These comprehensive analyses may help scientists and chemist working in the drug design of peripheral neuropathy.

Advances in Nonlinear Variational InequalitiesVol. 28(3s)
Openalex Percentile: Top 69%
Computational Drug Discovery Methods
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On The QSPR Analysis of Degree Based Topological Indices of Drugs used in Peripheral Neuropathy — Samuthira Nagarajan · Advances in Nonlinear Variational Inequalities (2024) | TGRS Research Map | TGRS