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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Bibliographic Details
Main Authors: JunJie Wee, Xue Gong, Wilderich Tuschmann, Kelin Xia
Format: Article
Language:English
Published: Nature Portfolio 2025-03-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-025-93381-y
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