Higher order structures in chemistry: hypergraphs reshape the molecule and the reaction

2026/01/01 by Guillermo Restrepo · 1 voice
Chemistry · Mathematics · #Chemistry and Stereochemistry Studies #Graph theory and applications #History and advancements in chemistry

paper · pdf · doi:10.1039/d5dd00533g

openalex publication_date 2026/01/01 · openalex created_date 2026/01/16 · openalex updated_date 2026/05/29

Abstract

Chemical systems contain higher-order relationships that exceed the binary constraints of traditional graph-based models.

Citations

• FORMAN–RICCI CURVATURE FOR HYPERGRAPHS
• Higher-order Network Analysis Takes Off, Fueled by Classical Ideas and New Data
• On random graphs. I.
• HGMatch: A Match-by-Hyperedge Approach for Subgraph Matching on Hypergraphs
• The Parametrised Complexity of Counting Small Sub-Hypergraphs
• Understanding the shape of chemistry data—Applications with persistent homology

Discussions

• On the front cover of Digital Discovery Issue 3, Guillermo Restrepo presents their Perspective on recent advances in hypergraph theory as well as the advantages and current limitations of hypergraph-b [bsky, 1 points, 0 comments]

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