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A Polynomial-time Metric for Outerplanar Graphs (Extended Abstract)

A Polynomial-time Metric for Outerplanar Graphs (Extended Abstract)

This video was recorded at 5th International Workshop on Mining and Learning with Graphs (MLG), Firenze 2007. In the chemoinformatics context, graphs have become very popular for the representation of molecules. However, a lot of algorithms handling graphs are computationally very expensive. In this paper we focus on outerplanar graphs, a class of graphs that is able to represent the majority of molecules. We define a metric on outerplanar graphs that is based on finding a maximum common subgraph and we present an algorithm that runs in polynomial time. Having an efficiently computable metric on molecules can improve the virtual screening of molecular databases significantly.


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