An Efficiently Computable Graph-Based Metric for the Classification of Small Molecules

Leander Schietgat, Jan Ramon, Maurice Bruynooghe, Hendrik Blockeel. An Efficiently Computable Graph-Based Metric for the Classification of Small Molecules. In Jean-François Boulicaut, Michael R. Berthold, Tamás Horváth, editors, Discovery Science, 11th International Conference, DS 2008, Budapest, Hungary, October 13-16, 2008. Proceedings. Volume 5255 of Lecture Notes in Computer Science, pages 197-209, Springer, 2008. [doi]

Abstract

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