ArticleScientific reports2025
Comparative QSPR study of food preservatives using topological indices and regression models.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- A Nano-QSAR Model for the Cytotoxicity of Doxorubicin Prodrug Micelles in Multidrug-Resistant Cancer Cells.ACS omega · 2026Article
- Comparative structural analysis of certain covalent organic frameworks through entropy and degree-based topological indices.Scientific reports · 2026Article
- Exploring antibody-antigen binding affinity using degree-based topological indices: a graph-theoretical approach.Frontiers in chemistry · 2026Article
- Degree-based topological indices and their graph energies in the QSPR analysis and ranking of UV-filter compounds.Frontiers in chemistry · 2026Article
- Predictive modeling of copper iodide properties using graph-theoretical descriptors.Scientific reports · 2025Article
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2 authors.
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Abstract
Food preservatives play a crucial role in extending the shelf life of food products. Understanding their physicochemical properties can help in designing more effective and safer preservatives. In this study, we use a Quantitative Structure Property Relationship (QSPR) approach based on topological indices to develop a predictive model for certain physicochemical properties of food preservatives. We compare the performance of linear and curvilinear regression models to understand which provides the best prediction model. Among the tested models, the cubic regression model demonstrated superior predictive performance. Of all the models tested, the cubic regression model had the best predictive capabilities such as [Formula: see text] for vapour density and [Formula: see text] for molecular weight. To validate our findings, we employ the developed model to estimate the properties of an existing food preservative, the propionic acid. Our results offer valuable insights that can aid in the development of new and improved food preservatives.
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