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Dr. Oliver Koch

Current affiliations

Professorship of computational drug research (Prof. Koch)

Publications

Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches Homberg, Samuel K.R.; Modlich, Malte L.; Becker, Marlon; Menke, Janosch; Morris, Garrett M.; Risse, Benjamin; Koch, Oliver (2025) In: Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor Jirsa, Yoshua Bengio (eds.), Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions, 232-234. LNCS 16072: Springer Nature. doi:https://doi.org/10.1007/978-3-032-04552-2 Abstract in edited proceedings (conference) \| Peer reviewed \| Published
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification Zhang, Yumeng; Menke, Janosch; He, Jiazhen; Nittinger, Eva; Tyrchan, Christian; Koch, Oliver; Zhao, Hongtao (2023) In: Journal of Cheminformatics, 15(1), 75. doi:10.1186/s13321-023-00744-6 Research article (journal) \| Peer reviewed \| Published
Targeting KCa3.1 channels in cancer Todesca, Luca Matteo; Maskri, Sarah; Brömmel, Kathrin; Thale, Insa; Wünsch, Bernhard; Koch, Oliver; Schwab, Albrecht (2021) In: Cellular physiology and biochemistry, 22(S3), 131-144. doi:10.33594/000000374 Research article (journal) \| Peer reviewed \| Published
Natural product scores and fingerprints extracted from artificial neural networks Menke, Janosch; Massa, Joana; Koch, Oliver (2021) In: Computational and Structural Biotechnology Journal, 19, 4593-4602. doi:10.1016/j.csbj.2021.07.032 Research article (journal) \| Peer reviewed \| Published
Using Domain-Specific Fingerprints Generated through Neural Networks to Enhance Ligand-Based Virtual Screening Menke, Janosch; Koch, Oliver (2021) In: Journal of Chemical Information and Modeling, 61(2), 664-675. doi:10.1021/acs.jcim.0c01208 Research article (journal) \| Peer reviewed \| Published

Projects

SPP 2363 - Subproject: Highlighting molecular similarity using explainable artificial intelligence Duration: 01/01/2026 - 31/12/2028 \| 2nd Funding period Funded by: DFG - Priority Programme Type of project: Subproject in DFG-joint project hosted at University of Münster
Summerschool Artificial lntelligence for Medicinal Chemistry and Drug Design (AIMedChem) Duration: 08/09/2025 - 12/09/2025 Funded by: Participation / conference fees Type of project: Scientific Event
RTG 2515: Chemical Biology of Ion Channels (Chembion) Duration: 01/04/2024 - 30/09/2028 \| 2nd Funding period Funded by: DFG - Research Training Group Type of project: Main DFG-project hosted at University of Münster
Chemical biology of membrane transport proteins Duration: 01/09/2022 - 31/12/2025 Funded by: Uni Münster-internal funding - Topical Programmes Type of project: Internally at the University of Münster funded project
SPP 2363 - Subproject: Neural fingerprints as structure and activity-sensitive molecular representations Duration: 01/05/2022 - 31/12/2025 \| 1st Funding period Funded by: DFG - Priority Programme Type of project: Subproject in DFG-joint project hosted at University of Münster

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