Topological modeling and QSPR based prediction of physicochemical properties of bioactive polyphenols
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 capturing the structural features of mol...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-11863-5 |
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