A fast discovery algorithm for large common connected induced subgraphs

A fast discovery algorithm for large common connected induced subgraphs

We present a fast algorithm for the classical problem of finding common subgraphs, which are useful for detecting structural relationships between biological macromolecules. Although the cost is potentially high for this hard problem, we improve performance by several orders of magnitude compared to...

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Veröffentlicht in:Discrete Applied Mathematics 2019-09, Vol.268, p.210-222
Hauptverfasser: Conte, Alessio, Grossi, Roberto, Marino, Andrea, Tattini, Lorenzo, Versari, Luca
Format: Artikel
Sprache:eng
Schlagworte:
Algorithms
Enumeration
Graph theory
Isomorphisms
Macromolecules
Maximal common subgraphs
Output sensitive
Performance enhancement
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Zusammenfassung:We present a fast algorithm for the classical problem of finding common subgraphs, which are useful for detecting structural relationships between biological macromolecules. Although the cost is potentially high for this hard problem, we improve performance by several orders of magnitude compared to known algorithms. We validate our findings with experiments on proteins with thousands of atoms.
ISSN:0166-218X
1872-6771
DOI:10.1016/j.dam.2019.02.023