ArticleScientific reports2023
Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes.
Article in Scientific reports, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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17 citing papers in PubMed.
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- Predictive topological modeling of the structure-property relationships in naturally occurring anti-cancer chalcones.Scientific reports · 2025Article
- Information-theoretic entropy and topological descriptor analysis of tin oxide (SnO₂) for structural and property prediction.Scientific reports · 2025Article
- Optimization model for predicting quantum theoretic characteristics of hexagonal systems using temperature dependent graph theoretic estimators.Scientific reports · 2025Article
- Topological modeling and QSPR based prediction of physicochemical properties of bioactive polyphenols.Scientific reports · 2025Article
- Chemical applicability and predictive potential of certain graphical indices for determining structure-property relationships in polycrystalline acid magenta (CScientific reports · 2025Article
- Mathematical study of silicate and oxide networks through Revan topological descriptors for exploring molecular complexity and connectivity.Scientific reports · 2025Article
- Hexagonal Fractals: Topological Indices, Fractal Dimensions, Structure-property Modeling and its Applications.Current organic synthesis · 2025Article
- Optimizing predictive models for evaluating the F-temperature index in predicting the π-electron energy of polycyclic hydrocarbons, applicable to carbon nanocones.Scientific reports · 2024Article
- Predictive potential of distance-related spectral graphical descriptors for structure-property modeling of thermodynamic properties of polycyclic hydrocarbons with applications.Scientific reports · 2024Article
- Computational insights into zinc silicate MOF structures: topological modeling, structural characterization and chemical predictions.Scientific reports · 2024Article
- QSPR/QSAR study of antiviral drugs modeled as multigraphs by using TI's and MLR method to treat COVID-19 disease.Scientific reports · 2024Article
- Locating-dominating number of certain infinite families of convex polytopes with applications.Heliyon · 2024Article
- Topological analysis of tetracyanobenzene metal-organic framework.Scientific reports · 2024Article
- Predictive modeling and regression analysis of diverse sulfonamide compounds employed in cancer therapy.Frontiers in chemistry · 2024Article
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5 authors.
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Abstract
A numeric quantity that characterizes the whole structure of a network is called a topological index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the physical features related to the bioactivities and chemical reactivity in certain networks. Materials for 2D nanotubes have extraordinary chemical, mechanical, and physical capabilities. They are extremely thin nanomaterials with excellent chemical functionality and anisotropy. Since, 2D materials have the largest surface area and are the thinnest of all known materials, they are ideal for all applications that call for intense surface interactions on a small scale. In this paper, we derived closed formulae for some important neighborhood based irregular topological indices of the 2D nanotubes. Based on the obtained numerical values, a comparative analysis of these computed indices is also performed.
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