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	1.	How wrong can we get? A review of machine learning approaches and error bars. [electronic resource] by Schwaighofer, Anton Schroeter, Timon Mika, Sebastian Blanchard, Gilles Producer: 20090925 In: Combinatorial chemistry & high throughput screening vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Visual Interpretation of Kernel-Based Prediction Models. [electronic resource] by Hansen, Katja Baehrens, David Schroeter, Timon Rupp, Matthias Müller, Klaus-Robert Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Bias-correction of regression models: a case study on hERG inhibition. [electronic resource] by Hansen, Katja Rathke, Fabian Schroeter, Timon Rast, Georg Fox, Thomas Kriegl, Jan M Mika, Sebastian Producer: 20090814 In: Journal of chemical information and modeling vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Machine learning models for lipophilicity and their domain of applicability. [electronic resource] by Schroeter, Timon Schwaighofer, Anton Mika, Sebastian Laak, Antonius Ter Suelzle, Detlev Ganzer, Ursula Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20070928 In: Molecular pharmaceutics vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Benchmark data set for in silico prediction of Ames mutagenicity. [electronic resource] by Hansen, Katja Mika, Sebastian Schroeter, Timon Sutter, Andreas ter Laak, Antonius Steger-Hartmann, Thomas Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20091211 In: Journal of chemical information and modeling vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Predicting lipophilicity of drug-discovery molecules using Gaussian process models. [electronic resource] by Schroeter, Timon S Schwaighofer, Anton Mika, Sebastian Ter Laak, Antonius Suelzle, Detlev Ganzer, Ursula Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20080811 In: ChemMedChem vol. 2 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. [electronic resource] by Schroeter, Timon Sebastian Schwaighofer, Anton Mika, Sebastian Ter Laak, Antonius Suelzle, Detlev Ganzer, Ursula Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20080110 In: Journal of computer-aided molecular design vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. [electronic resource] by Schroeter, Timon Sebastian Schwaighofer, Anton Mika, Sebastian Ter Laak, Antonius Suelzle, Detlev Ganzer, Ursula Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20080515 In: Journal of computer-aided molecular design vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Accurate solubility prediction with error bars for electrolytes: a machine learning approach. [electronic resource] by Schwaighofer, Anton Schroeter, Timon Mika, Sebastian Laub, Julian ter Laak, Antonius Sülzle, Detlev Ganzer, Ursula Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20070525 In: Journal of chemical information and modeling vol. 47 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	A probabilistic approach to classifying metabolic stability. [electronic resource] by Schwaighofer, Anton Schroeter, Timon Mika, Sebastian Hansen, Katja Ter Laak, Antonius Lienau, Philip Reichel, Andreas Heinrich, Nikolaus Müller, Klaus-Robert Producer: 20080731 In: Journal of chemical information and modeling vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators. [electronic resource] by Steri, Ramona Rupp, Matthias Proschak, Ewgenij Schroeter, Timon Zettl, Heiko Hansen, Katja Schwarz, Oliver Müller-Kuhrt, Lutz Müller, Klaus-Robert Schneider, Gisbert Schubert-Zsilavecz, Manfred Producer: 20100727 In: Bioorganic & medicinal chemistry letters vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma. [electronic resource] by Rupp, Matthias Schroeter, Timon Steri, Ramona Zettl, Heiko Proschak, Ewgenij Hansen, Katja Rau, Oliver Schwarz, Oliver Müller-Kuhrt, Lutz Schubert-Zsilavecz, Manfred Müller, Klaus-Robert Schneider, Gisbert Producer: 20100422 In: ChemMedChem vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set. [electronic resource] by Sushko, Iurii Novotarskyi, Sergii Körner, Robert Pandey, Anil Kumar Cherkasov, Artem Li, Jiazhong Gramatica, Paola Hansen, Katja Schroeter, Timon Müller, Klaus-Robert Xi, Lili Liu, Huanxiang Yao, Xiaojun Öberg, Tomas Hormozdiari, Farhad Dao, Phuong Sahinalp, Cenk Todeschini, Roberto Polishchuk, Pavel Artemenko, Anatoliy Kuz'min, Victor Martin, Todd M Young, Douglas M Fourches, Denis Muratov, Eugene Tropsha, Alexander Baskin, Igor Horvath, Dragos Marcou, Gilles Muller, Christophe Varnek, Alexander Prokopenko, Volodymyr V Tetko, Igor V Producer: 20110415 In: Journal of chemical information and modeling vol. 50 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)