Topological modeling and QSPR based prediction of physicochemical properties of bioactive polyphenols
Sign Up to like & getrecommendations! Published in 2025 at "Scientific Reports"
DOI: 10.1038/s41598-025-11863-5
Abstract: Molecular graph theory provides a powerful mathematical framework for representing chemical structures, where atoms and bonds are modeled as vertices and edges of a graph. Topological indices, derived from these graphs, serve as numerical descriptors… read more here.
Keywords: prediction; physicochemical properties; topological indices; bioactive polyphenols ... See more keywords
Topological modeling of metallic foams
Sign Up to like & getrecommendations! Published in 2025 at "Modelling and Simulation in Materials Science and Engineering"
DOI: 10.1088/1361-651x/ae0c25
Abstract: Understanding material’s micro- and macrostructure is key to linking inner structure information to large-scale physical properties and function. An improvement of the microstructure during production processes can lead to materials with enhanced physical properties or… read more here.
Keywords: modeling metallic; structure; metallic foams; topological modeling ... See more keywords