ArticleInternational journal of molecular sciences2025
In Search of the Perfect Composite Material-A Chemoinformatics Approach Towards the Easier Handling of Dental Materials.
Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
2 citing papers in PubMed.
- Few-Shot Prediction of Toxicity of Ionic Liquids Supported by Attentive Model-Agnostic Meta-Learning.Chemical research in toxicology · 2026Article
- Exploring Chemoinformatics Aspects of Few-Shot Meta-Learning by Example of an Infinite Dilution Activity Coefficient in Ionic Liquid Prediction.Journal of chemical information and modeling · 2026Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Modern dentistry depends on polymer composite materials for a wide range of applications. These materials, mainly composed of polymer resins and reinforced with inorganic fillers, offer mechanical strength, wear resistance, and durability for restorations and prosthetics. This study concentrated on the density and surface tension of monomers often used in dental resins and employed Quantitative Structure-Property Relationship (QSPR) modeling to investigate the influence of monomers' structural features on these properties. Two main and two auxiliary models to predict both density and surface tension were built and validated. Additionally, two models based on CircuS descriptors were built and analyzed. Molecular descriptors from the models were interpreted and structural characteristics of dental monomers influencing their physicochemical properties were identified. It was found that the presence of heteroatoms increases both of the analyzed properties, while all of the other identified structural features exert an opposite influence on density and surface tension. Furthermore, the study showed that the density of dental monomers can be reliably predicted using the database containing regular organic compounds, but the surface tension requires the database containing specific monomers in order to perform satisfactorily.
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Registered trials
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