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The Computer Journal 2002 45(6):631-644; doi:10.1093/comjnl/45.6.631
© 2002 by British Computer Society
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RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs

John W. Raymond1, Eleanor J. Gardiner2 and Peter Willett2

1 Pfizer Global Research and Development, Ann Arbor Laboratories, 2800 Plymouth Road, Ann Arbor, Michigan 48105, USA Email: john.raymond@pfizer.com 2 Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, UK

A new graph similarity calculation procedure is introduced for comparing labeled graphs. Given a minimum similarity threshold, the procedure consists of an initial screening process to determine whether it is possible for the measure of similarity between the two graphs to exceed the minimum threshold, followed by a rigorous maximum common edge subgraph (MCES) detection algorithm to compute the exact degree and composition of similarity. The proposed MCES algorithm is based on a maximum clique formulation of the problem and is a significant improvement over other published algorithms. It presents new approaches to both lower and upper bounding as well as vertex selection.

Received 16 August, 2001. Revised 29 April, 2002.


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