ArticleJournal of molecular modeling2022
A new perspective on the modeling and topological characterization of H-Naphtalenic nanosheets with applications.
Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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15 citing papers in PubMed.
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- A novel approach to explore common prime divisor graphs and their degree based topological descriptor.PloS one · 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
- 3D molecular structural modeling and characterization of indium phosphide via irregularity topological indices.BMC chemistry · 2024Article
- Locating-dominating number of certain infinite families of convex polytopes with applications.Heliyon · 2024Article
- On Certain Degree Based and Bond-additive Topological Indices of Dodeca-benzo-circumcorenene.Combinatorial chemistry & high throughput screening · 2024Article
- Molecular structural modeling and physical characteristics of anti-breast cancer drugs via some novel topological descriptors and regression models.Current research in structural biology · 2024Article
- Mathematical modeling and topological graph description of dominating David derived networks based on edge partitions.Scientific reports · 2023Article
- Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes.Scientific reports · 2023Article
- Mathematical analysis and molecular descriptors of two novel metal-organic models with chemical applications.Scientific reports · 2023Article
- Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis.International journal of analytical chemistry · 2023Article
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Abstract
In the past few years, two-dimensional (2D) layered nanomaterials have greatly attracted the scientific community. Among 2D nanomaterials, the porphyrin-based Naphtalenic nanosheets have been the subject of intense research due to their utilization in photo-dynamic therapy and nanodevices. New technologies based on nanomaterials or Naphtalenic nanosheet are advantageous in overcoming the problems in conventional drug delivery like poor solubility, toxicity and poor release pattern of drugs. In chemical network theory, various molecular descriptors are used to predict the chemical properties of molecules; these molecular descriptors are found to be very useful for Quantitative Structure-Activity/ Quantitative Structure-Property (QSAR/QSPR) relationship analysis in materials engineering, chemical and pharmaceutical industries. Researchers have computed the molecular descriptors for various nanostructures; however, despite intense research, the topology of nanostructures is not yet well understood. Specially, to our knowledge, the computation of topological indices for the line graph of subdivision graph of H-Naphtalenic nanosheet has not been discussed so far, which may open new perspectives for a more accurate and reliable topological characterization of this nanosheet.In this article, we employed some important degree-based topological indices to study the chemical structure of Naphtalenic nanosheet as a chemical network for QSAR/QSPR analysis. We have computed these degree-based topological indices for the line graph of subdivision graph of H-Naphtalenic nanosheet and derived formulas for them. Based on the derived formulas, numerical results are obtained and the physical and chemical properties of the under study nanosheet are investigated.
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