publications

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2012

Seeland, Madeleine; Karwath, Andreas; Kramer, Stefan

A structural cluster kernel for learning on graphs Conference

The 18th ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, KDD 2012, ACM ACM, New York, NY, USA, 2012, ISBN: 978-1-4503-1462-6.

Abstract | Links | BibTeX | Tags: cheminformatics, clustering, data mining, kernels, QSAR, suport vector machines

Gütlein, Martin; Karwath, Andreas; Kramer, Stefan

CheS-Mapper - Chemical Space Mapping and Visualization in 3D Journal Article

J. Cheminformatics, 4 , pp. 7, 2012.

Abstract | Links | BibTeX | Tags: cheminformatics, clustering, dimensionality reduction, QSAR, visualization