ArticleScientific reports2024
Comparative study of Sombor index and its various versions using regression models for top priority polycyclic aromatic hydrocarbons.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed.
- On topological co-index polynomials for predictive modeling of the physicochemical properties of antiviral drugs.Scientific reports · 2026Article
- Eccentric sombor index of graphs and its role in the structure-property relationship analysis of polycyclic aromatic compounds.Scientific reports · 2026Article
- QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs.Scientific reports · 2026Article
- QSPR analysis of the drugs used to treat major depressive disorder using degree and neighborhood degree based indices.Frontiers in chemistry · 2026Article
- Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment.Frontiers in chemistry · 2026Article
- Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology.Scientific reports · 2025Article
- Prediction of Standard Combustion Enthalpy of Organic Compounds Combining Machine Learning and Chemical Graph Theory: A Strategy.ACS omega · 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
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3 authors.
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Abstract
The aromatic compounds having structural configurations with two or more fused benzene rings are the polycyclic aromatic hydrocarbons (PAHs). Topological indices are valuable tools for studying the structure property relationships of PAHs and also helps in predicting various properties and activities. They find applications widely in computational chemistry, drug design and QSPR studies. This article focuses on analysing the potential predictive index for Sombor index (SO), elliptic Sombor index (ESO), Euler Sombor index (EU), reverse Sombor index (RSO), reverse elliptic Sombor index (RESO) and reverse Euler Sombor index (REU) using regression models for top priority 38 PAHs. From the study it is evident that, SO and RSO have proved to be potential predictive indices among the considered degree-based and reverse degree-based indices. The variation of best predictive index with minimal RMSE are plotted for linear, quadratic and cubic regression models for better understanding.
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