Jörg Simon Wicker Senior Lecturer | School of Computer Science | The University of Auckland
Senior Lecturer | School of Computer Science | The University of Auckland

Publications

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2022

1.

Dost, Katharina; Pullar-Strecker, Zac; Brydon, Liam; Zhang, Kunyang; Hafner, Jasmin; Riddle, Pat; Wicker, Jörg

Combatting Over-Specialization Bias in Growing Chemical Databases Journal Article Forthcoming

In: Research Square, Forthcoming, (preprint).

Abstract | Links | BibTeX | Altmetric | Tags: bias, biodegradation, cheminformatics, chmical compound space, data quality, enviPath, machine learning, metabolic pathways

2021

2.

Tam, Jason; Lorsbach, Tim; Schmidt, Sebastian; Wicker, Jörg

Holistic Evaluation of Biodegradation Pathway Prediction: Assessing Multi-Step Reactions and Intermediate Products Journal Article

In: Journal of Cheminformatics, vol. 13, no. 1, pp. 63, 2021.

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

3.

Stepišnik, Tomaž; Škrlj, Blaž; Wicker, Jörg; Kocev, Dragi

A comprehensive comparison of molecular feature representations for use in predictive modeling Journal Article

In: Computers in Biology and Medicine, vol. 130, pp. 104197, 2021, ISSN: 0010-4825.

Abstract | Links | BibTeX | Altmetric | Tags: biodegradation, cheminformatics, computational sustainability, data mining, enviPath, machine learning, metabolic pathways, molecular feature representation, toxicity

2017

4.

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: biodegradation, cheminformatics, computational sustainability, data mining, enviPath, multi-label classification, REST, web services

2016

5.

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: biodegradation, cheminformatics, computational sustainability, enviPath, machine learning, metabolic pathways, multi-label classification

6.

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, vol. 44, no. D1, pp. D502-D508, 2016.

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

2013

7.

Wicker, Jörg

Large Classifier Systems in Bio- and Cheminformatics PhD Thesis

Technische Universität München, 2013.

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

2010

8.

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, vol. 26, no. 6, pp. 814-821, 2010.

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

2008

9.

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: biodegradation, cheminformatics, computational sustainability, enviPath, machine learning, metabolic pathways