Computational Sustainability

Computational sustainability is an interdisciplinary field of sustainability research, including applied science about the research in sustainable solutions and their implementation. Machine Learning and Data Mining is at the center of this research area linking together diverse application areas such as environmental sciences, atmospheric science, agriculture, or social science.

2024

Long, Derek; Eade, Liam; Dost, Katharina; Meier-Menches, Samuel M; Goldstone, David C; Sullivan, Matthew P; Hartinger, Christian; Wicker, Jörg; Taskova, Katerina

AdductHunter: Identifying Protein-Metal Complex Adducts in Mass Spectra Journal Article

In: Journal of Cheminformatics, vol. 16, iss. 1, 2024, ISSN: 1758-2946.

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2023

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

Defining Applicability Domain in Biodegradation Pathway Prediction Unpublished Forthcoming

Forthcoming.

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Hafner, Jasmin; Lorsbach, Tim; Schmidt, Sebastian; Brydon, Liam; Dost, Katharina; Zhang, Kunyang; Fenner, Kathrin; Wicker, Jörg

Advancements in Biotransformation Pathway Prediction: Enhancements, Datasets, and Novel Functionalities in enviPath Unpublished Forthcoming

Forthcoming.

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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

In: Journal of Cheminformatics, vol. 15, iss. 1, pp. 53, 2023, ISSN: 1758-2946.

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Roeslin, Samuel; Ma, Quincy; Chigullapally, Pavan; Wicker, Jörg; Wotherspoon, Liam

Development of a Seismic Loss Prediction Model for Residential Buildings using Machine Learning – Christchurch, New Zealand Journal Article

In: Natural Hazards and Earth System Sciences, vol. 23, no. 3, pp. 1207-1226, 2023.

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2022

Poonawala-Lohani, Nooriyan; Riddle, Pat; Adnan, Mehnaz; Wicker, Jörg

Geographic Ensembles of Observations using Randomised Ensembles of Autoregression Chains: Ensemble methods for spatio-temporal Time Series Forecasting of Influenza-like Illness Proceedings Article

In: pp. 1-7, Association for Computing Machinery, New York, NY, USA, 2022, ISBN: 9781450393867.

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Graffeuille, Olivier; Koh, Yun Sing; Wicker, Jörg; Lehmann, Moritz

Semi-Supervised Conditional Density Estimation with Wasserstein Laplacian Regularisation Proceedings Article

In: Proceeding of the Thirty-Sixth AAAI Conference on Artificial Intelligence, pp. 6746-6754, 2022.

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Poonawala-Lohani, Nooriyan; Riddle, Pat; Adnan, Mehnaz; Wicker, Jörg

A Novel Approach for Time Series Forecasting of Influenza-like Illness Using a Regression Chain Method Proceedings Article

In: Altman, Russ; Dunker, Keith; Hunter, Lawrence; Ritchie, Marylyn; Murray, Tiffany; Klein, Teri (Ed.): Pacific Symposium on Biocomputing, pp. 301-312, 2022.

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2021

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.

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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.

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2020

Chester, Andrew; Koh, Yun Sing; Wicker, Jörg; Sun, Quan; Lee, Junjae

Balancing Utility and Fairness against Privacy in Medical Data Proceedings Article

In: IEEE Symposium Series on Computational Intelligence (SSCI), pp. 1226-1233, IEEE, 2020.

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Roeslin, Samuel; Ma, Quincy; Chigullapally, Pavan; Wicker, Jörg; Wotherspoon, Liam

Feature Engineering for a Seismic Loss Prediction Model using Machine Learning, Christchurch Experience Proceedings Article

In: 17th World Conference on Earthquake Engineering, 2020.

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Roeslin, Samuel; Ma, Quincy; Juárez-Garcia, Hugon; Gómez-Bernal, Alonso; Wicker, Jörg; Wotherspoon, Liam

A machine learning damage prediction model for the 2017 Puebla-Morelos, Mexico, earthquake Journal Article

In: Earthquake Spectra, vol. 36, no. 2, pp. 314-339, 2020.

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2019

Roeslin, Samuel; Ma, Quincy; Wicker, Jörg; Wotherspoon, Liam

Data integration for the development of a seismic loss prediction model for residential buildings in New Zealand Proceedings Article

In: Cellier, Peggy; Driessens, Kurt (Ed.): Machine Learning and Knowledge Discovery in Databases, pp. 88-100, Springer International Publishing, Cham, 2019, ISBN: 978-3-030-43887-6.

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2017

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.

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2016

Wicker, Jörg; Fenner, Kathrin; Kramer, Stefan

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

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

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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.

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2013

Wicker, Jörg

Large Classifier Systems in Bio- and Cheminformatics PhD Thesis

Technische Universität München, 2013.

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2010

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, vol. 2, no. 1, pp. 7, 2010, ISSN: 1758-2946.

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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.

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2008

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

Machine Learning and Data Mining Approaches to Biodegradation Pathway Prediction Proceedings Article

In: Bridewell, Will; Calders, Toon; 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.

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