A cohomology-based Gromov–Hausdorff metric approach for quantifying molecular similarity
Abstract We introduce a cohomology-based Gromov–Hausdorff ultrametric method to analyze 1-dimensional and higher-dimensional (co)homology groups, focusing on loops, voids, and higher-dimensional cavity structures in simplicial complexes, to address typical clustering questions arising in molecular d...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-03-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-93381-y |
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