Katja Hansen - RankMe

12 papers Journal 10Unranked 1

Year	Rank	Type	Title / Venue / Authors
2012	—	`conf`	Learning Invariant Representations of Molecules for Atomization Energy Prediction. NIPS Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, O. Anatole von Lilienfeld, Klaus-Robert Müller
2012	J	`jnl`	Multi-task learning for pKa prediction. J. Comput. Aided Mol. Des. Grigorios Skolidis, Katja Hansen, Guido Sanguinetti, Matthias Rupp
2012	—	`—`	Novel machine learning methods for computational chemistry. Katja Hansen
2011	J	`jnl`	Finding Density Functionals with Machine Learning CoRR John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke
2011	J	`jnl`	StructRank: A New Approach for Ligand-Based Virtual Screening. J. Chem. Inf. Model. Fabian Rathke, Katja Hansen, Ulf Brefeld, Klaus-Robert Müller
2010	J	`jnl`	Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd M. Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko
2010	J	`jnl`	How to Explain Individual Classification Decisions. J. Mach. Learn. Res. David Baehrens, Timon Schroeter, Stefan Harmeling, Motoaki Kawanabe, Katja Hansen, Klaus-Robert Müller
2010	J	`jnl`	Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist. J. Cheminformatics Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider
2009	J	`jnl`	Benchmark Data Set for in Silico Prediction of Ames Mutagenicity. J. Chem. Inf. Model. Katja Hansen, Sebastian Mika, Timon Schroeter, Andreas Sutter, Antonius ter Laak, Thomas Steger-Hartmann, Nikolaus Heinrich, Klaus-Robert Müller
2009	J	`jnl`	Bias-Correction of Regression Models: A Case Study on hERG Inhibition. J. Chem. Inf. Model. Katja Hansen, Fabian Rathke, Timon Schroeter, Georg Rast, Thomas Fox, Jan M. Kriegl, Sebastian Mika
2009	J	`jnl`	How to Explain Individual Classification Decisions CoRR David Baehrens, Timon Schroeter, Stefan Harmeling, Motoaki Kawanabe, Katja Hansen, Klaus-Robert Müller
2008	J	`jnl`	A Probabilistic Approach to Classifying Metabolic Stability. J. Chem. Inf. Model. Anton Schwaighofer, Timon Schroeter, Sebastian Mika, Katja Hansen, Antonius ter Laak, Philip Lienau, Andreas Reichel, Nikolaus Heinrich, Klaus-Robert Müller