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2017

1.

Latino, Diogo; Wicker, Jörg; Gütlein, Martin; Schmid, Emanuel; Kramer, Stefan; Fenner, Kathrin

Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data Journal Article

In: Environmental Science: Process & Impact, 2017.

Abstract | Links | BibTeX | Altmetric | Tags: application, biodegradation, cheminformatics, data mining, enviPath, multi-label classification, REST, web services

2016

2.

Wicker, Jörg; Fenner, Kathrin; Kramer, Stefan

A Hybrid Machine Learning and Knowledge Based Approach to Limit Combinatorial Explosion in Biodegradation Prediction Incollection

In: Lässig, Jörg; Kersting, Kristian; Morik, Katharina (Ed.): Computational Sustainability, pp. 75-97, Springer International Publishing, Cham, 2016, ISBN: 978-3-319-31858-5.

Abstract | Links | BibTeX | Altmetric | Tags: application, biodegradation, cheminformatics, computational sustainability, enviPath, machine learning, metabolic pathways, multi-label classification

3.

Wicker, Jörg; Lorsbach, Tim; Gütlein, Martin; Schmid, Emanuel; Latino, Diogo; Kramer, Stefan; Fenner, Kathrin

enviPath - The Environmental Contaminant Biotransformation Pathway Resource Journal Article

In: Nucleic Acid Research, 44 (D1), pp. D502-D508, 2016.

Abstract | Links | BibTeX | Altmetric | Tags: application, biodegradation, cheminformatics, computational sustainability, data mining, enviPath, linked data, machine learning, metabolic pathways, multi-label classification

4.

Williams, Jonathan; Stönner, Christof; Wicker, Jörg; Krauter, Nicolas; Derstorff, Bettina; Bourtsoukidis, Efstratios; Klüpfel, Thomas; Kramer, Stefan

Cinema audiences reproducibly vary the chemical composition of air during films, by broadcasting scene specific emissions on breath Journal Article

In: Scientific Reports, 6 , 2016.

Abstract | Links | BibTeX | Altmetric | Tags: application, atmospheric chemistry, causality, cheminformatics, data mining, emotional response analysis, smell of fear, sof

2013

5.

Wicker, Jörg

Large Classifier Systems in Bio- and Cheminformatics PhD Thesis

Technische Universität München, 2013.

Abstract | Links | BibTeX | Tags: application, biodegradation, bioinformatics, cheminformatics, data mining, enviPath, machine learning, multi-label classification, multi-relational learning, toxicity

2010

6.

Hardy, Barry; Douglas, Nicki; Helma, Christoph; Rautenberg, Micha; Jeliazkova, Nina; Jeliazkov, Vedrin; Nikolova, Ivelina; Benigni, Romualdo; Tcheremenskaia, Olga; Kramer, Stefan; Girschick, Tobias; Buchwald, Fabian; Wicker, Jörg; Karwath, Andreas; Gütlein, Martin; Maunz, Andreas; Sarimveis, Haralambos; Melagraki, Georgia; Afantitis, Antreas; Sopasakis, Pantelis; Gallagher, David; Poroikov, Vladimir; Filimonov, Dmitry; Zakharov, Alexey; Lagunin, Alexey; Gloriozova, Tatyana; Novikov, Sergey; Skvortsova, Natalia; Druzhilovsky, Dmitry; Chawla, Sunil; Ghosh, Indira; Ray, Surajit; Patel, Hitesh; Escher, Sylvia

Collaborative development of predictive toxicology applications Journal Article

In: Journal of Cheminformatics, 2 (1), pp. 7, 2010, ISSN: 1758-2946.

Abstract | Links | BibTeX | Altmetric | Tags: application, cheminformatics, data mining, machine learning, REST, toxicity

7.

Wicker, Jörg; Fenner, Kathrin; Ellis, Lynda; Wackett, Larry; Kramer, Stefan

Predicting biodegradation products and pathways: a hybrid knowledge- and machine learning-based approach Journal Article

In: Bioinformatics, 26 (6), pp. 814-821, 2010.

Abstract | Links | BibTeX | Altmetric | Tags: application, biodegradation, cheminformatics, computational sustainability, enviPath, machine learning, metabolic pathways

2008

8.

Wicker, Jörg; Fenner, Kathrin; Ellis, Lynda; Wackett, Larry; Kramer, Stefan

Machine Learning and Data Mining Approaches to Biodegradation Pathway Prediction Inproceedings

In: Bridewell, Will; Calders, Toon; de Medeiros, Ana Karla; Kramer, Stefan; Pechenizkiy, Mykola; Todorovski, Ljupco (Ed.): Proceedings of the Second International Workshop on the Induction of Process Models at ECML PKDD 2008, 2008.

Links | BibTeX | Tags: application, biodegradation, cheminformatics, computational sustainability, enviPath, machine learning, metabolic pathways