Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity

Matthias Rupp, Ewgenij Proschak, Gisbert Schneider. Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity. Journal of Chemical Information and Computer Sciences, 47(6):2280-2286, 2007. [doi]

Authors

Matthias Rupp

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Ewgenij Proschak

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Gisbert Schneider

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