In Search of the Perfect Composite Material-A Chemoinformatics Approach Towards the Easier Handling of Dental Materials.

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

SUBMITTER: Eichenlaub J 

PROVIDER: S-EPMC12428768 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature