Palle Helmke

palle.steen.helmke@univie.ac.at

PhD Student

Palle is a PhD Student and currently involved in the RISK-HUNT3R project. His work focuses on the establishment of KNIME workflows to enrich compound-target interaction fingerprints with visualisation in heatmaps. This will be further implemented on steatosis as main use case. In addition, this aim will be accomplished by creating machine learning models for classification using compound-target interaction fingerprints for instance.

Publications

Helmke PS , Kandler J, Ilie S, Gaskin L , Ecker GF. Data-driven assessment of bioisosteric replacements and their influence on off-target activity profiles. RSC Medicinal Chemistry. 2025 Dec 10;16(12):6048-6058. doi: 10.1039/d5md00686d

Vlasveld M, van den Berk L, Piñero J, Helmke PS , Ecker GF, van Rossom R et al. A broad kinase inhibitor library live cell imaging screen using liver, kidney and cardiac hiPSC-ICAM1-eGFP reporter lineages identifies liabilities for TNFα pathway modulation. Archives of Toxicology. 2025 Nov 5;100(2):585-601. Epub 2025 Nov 5. doi: 10.1007/s00204-025-04226-6

Cronin MTD, Basiri H, Belfield SJ, Chavan S, Chrysochoou G, Enoch SJ et al. The Findable, Accessible, Interoperable, Reusable (FAIR) Lite Principles to ensure utility of computational toxicology models. Altex. 2025 Sept 25. Epub 2025 Sept 25. doi: 10.14573/altex.2502021

Helmke PS , Ecker GF. Refining Drug-Induced Cholestasis Prediction: An Explainable Consensus Model Integrating Chemical and Biological Fingerprints. Journal of Chemical Information and Modeling. 2025 Jun 9;65(11):5301-5316. doi: 10.1021/acs.jcim.4c02363

Belfield SJ, Basiri H, Swapnil C, Chrysochoou G, Enoch SJ, Firman JW et al. Moving towards making (quantitative) structure-activity relationships ((Q)SARs) for toxicity-related endpoints findable, accessible, interoperable and reusable (FAIR). Altex. 2025;42(4):657-666. doi: 10.14573/altex.2411161

Helmke P, Füzi B, Ecker GF. Bioactivity descriptors for in vivo toxicity prediction: now and the future. Expert Opinion on Drug Metabolism and Toxicology. 2024;20(7):541-543. Epub 2024 Apr. doi: 10.1080/17425255.2024.2334308