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) Type of Publication: Research article (journal)
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) Type of Publication: Research article (journal)
Natural product scores and fingerprints extracted from artificial neural networks Menke, Janosch; Massa, Joana; Koch, Oliver (2021) In: Computational and Structural Biotechnology Journal, 19 Type of Publication: Research article (journal)
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) Type of Publication: Research article (journal)

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
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
Structure-based and data-oriented methods for the computational molecular design of bioactive compounds Duration: 01/04/2022 - 31/03/2027 Funded by: DFG - Heisenberg professorship Type of project: Individual project
Interdisziplinäres Lehrprogramm zu maschinellem Lernen und künstlicher Intelligenz (InterKI) Duration: 01/12/2021 - 30/11/2025 Funded by: Federal Ministry of Research, Technology and Space Type of project: Individual project