Publications, Patents, Books and Book Chapters
Showing entries 11 - 20 out of 284
2025
Helmke, PS & Ecker, GF 2025, 'Refining Drug-Induced Cholestasis Prediction: An Explainable Consensus Model Integrating Chemical and Biological Fingerprints', Journal of Chemical Information and Modeling, vol. 65, no. 11, pp. 5301-5316. https://doi.org/10.1021/acs.jcim.4c02363
Goldmann, U, Wiedmer, T, Garofoli, A, Sedlyarov, V, Bichler, M, Haladik, B, Wolf, G, Christodoulaki, E, Ingles-Prieto, A, Ferrada, E, Frommelt, F, Teoh, ST, Leippe, P, Onea, G, Pfeifer, M, Kohlbrenner, M, Chang, L, Selzer, P, Reinhardt, J, Digles, D, Ecker, GF, Osthushenrich, T, MacNamara, A, Malarstig, A, Hepworth, D & Superti-Furga, G 2025, 'Data- and knowledge-derived functional landscape of human solute carriers', Molecular Systems Biology, vol. 21, no. 6, 33, pp. 599-631. https://doi.org/10.1038/s44320-025-00108-2
Mazoudji, A & Ecker, GF 2025, 'Docking-Based Classification of SGLT2 Inhibitors', Molecules (Basel, Switzerland), vol. 30, no. 10, 2179. https://doi.org/10.3390/molecules30102179
Smajić, A, Steger-Hartmann, T, Ecker, GF & Hackl, A 2025, 'Data Exploration for Target Predictions Using Proprietary and Publicly Available Data Sets', Chemical Research in Toxicology, vol. 38, no. 5, pp. 820-833. https://doi.org/10.1021/acs.chemrestox.4c00347, https://doi.org/10.1021/acs.chemrestox.4c00347
Dreier, D, Belleza, OJV, Schlögl, K, Kickinger, S, Hellsberg, E, Mayer, FP, Sandtner, W, Mikšovsky, P, Schittmayer, M, Hu, Y, Jäntsch, K, Holy, M, Ecker, GF, Sitte, HH & Mihovilovic, MD 2025, 'Careful Examination of a Novel Azobenzene Paroxetine Derivative and Its Interactions With Biogenic Amine Transporters', Journal of Neurochemistry, vol. 169, no. 4, e70068. https://doi.org/10.1111/jnc.70068
Omran, A, Amberg, A & Ecker, G 2025, 'Exploring diverse approaches for predicting interferon-gamma release utilising MHC class II and peptide sequences: utilizing MHC class II and peptide sequences', Briefings in bioinformatics, vol. 26, no. 2, bbaf101. https://doi.org/10.1093/bib/bbaf101
Miele, M, Smajić, A & Pace, V 2025, 'The Versatility of the Roskamp Homologation in Synthesis', Molecules, vol. 30, no. 6, 1192. https://doi.org/10.3390/molecules30061192
Belfield, SJ, Basiri, H, Swapnil, C, Chrysochoou, G, Enoch, SJ, Firman, JW, Gomatam, A, Hardy, B, Helmke, PS, Madden, JC, Maran, U, March-Vila, E, Nikolov, NG, Pastor, M, Piir, G, Sild, S, Smajić, A, Spînu, N, Wedebye, EB & Cronin, MTD 2025, 'Moving towards making (quantitative) structure-activity relationships ((Q)SARs) for toxicity-related endpoints findable, accessible, interoperable and reusable (FAIR)', Altex, vol. 42, no. 4, pp. 657-666. https://doi.org/10.14573/altex.2411161
2024
Magel, V, Blum, J, Dolde, X, Leisner, H, Grillberger, K, Khalidi, H, Gardner, I, Ecker, GF, Pallocca, G, Dreser, N & Leist, M 2024, 'Inhibition of Neural Crest Cell Migration by Strobilurin Fungicides and Other Mitochondrial Toxicants', Cells, vol. 13, no. 24, 2057. https://doi.org/10.3390/cells13242057
Sosnin, S 2024, 'MolCompass: Multi-tool for the Navigation in Chemical Space and Visual Validation of QSAR/QSPR Models', Journal of Cheminformatics, vol. 16, no. 1, 98. https://doi.org/10.1186/s13321-024-00888-z