PASCAL - Pattern Analysis, Statistical Modelling and Computational Learning

EPrints submitted by Katja Hansen

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Number of EPrints submitted by this user: 6

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity
Katja Hansen, Sebastian Mika, Timon Schröter, Andreas Sutter, Antonius ter Laak, Thomas Steger-Hartmann, Nikolaus Heinrich and Klaus-Robert Müller
Journal of Chemical Information and Modelling Volume 49, Number 9, pp. 2077-2081, 2009.

BiasCorrection of Regression Models: A Case Study on hERG Inhibition
Katja Hansen, Fabian Rathke, Timon Schröter, Georg Rast, Thomas Fox, Jan M. Kriegl and Sebastian Mika
Journal of Chemical Information and Modelling Volume 49, Number 6, pp. 1486-1496, 2009.

From machine learning to natural product derivatives selectively activating transcription factor PPAR-γ
Matthias Rupp, Timon Schröter, Ramona Steri, Heiko Zettl, Ewgenij Proschak, Katja Hansen, Oliver Rau, Oliver Schwarz, Lutz Müller-Kuhrt, Manfred Schubert-Zsilavecz, Klaus-Robert Müller and Gisbert Schneider
ChemMedChem Volume 5, Number 2, pp. 191-194, 2010. ISSN 1860-7187

How to Explain Individual Classification Decisions
D Baehrens, Timon Schröter, Stefan Harmeling, Motoaki Kawanabe, Katja Hansen and Klaus-Robert Müller
Journal of Machine Learning Research Volume 11, pp. 1803-1831, 2011.

StructRank: A New Approach for Ligand-Based Virtual Screening
Fabian Rathke, Katja Hansen, Ulf Brefeld and Klaus-Robert Müller
Journal of Chemical Information and Modeling Volume 51, Number 1, pp. 83-92, 2011. ISSN 1549-9596

Visual In- terpretation of Kernel-Based Prediction Models
Katja Hansen, David Baehrens, Timon Schröter, Matthias Rupp and Klaus-Robert Müller
Molecular Informatics Volume 30, Number 9, pp. 817-826, 2011. ISSN 1868-1751