Publications, Patents, Books and Book Chapters
Showing entries 21 - 30 out of 262
2022
Smajic, A, Grandits, M & Ecker, GF 2022, 'Using Jupyter Notebooks for re-training machine learning models', Journal of Cheminformatics, vol. 14, no. 1, 54. https://doi.org/10.1186/s13321-022-00635-2
Naga, D, Parrott, N, Ecker, GF & Olivares-Morales, A 2022, 'Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery', Molecular Pharmaceutics, vol. 19, no. 7, pp. 2203-2216. https://doi.org/10.1021/acs.molpharmaceut.2c00040
Decker, S, Taschauer, A, Geppl, E, Pirhofer, V, Schauer, M, Pöschl, S, Kopp, F, Richter, L, Ecker, GF, Sami, H & Ogris, M 2022, 'Structure-based peptide ligand design for improved epidermal growth factor receptor targeted gene delivery', European Journal of Pharmaceutics and Biopharmaceutics, vol. 176, pp. 211-221. https://doi.org/10.1016/j.ejpb.2022.05.004
Füzi, B, Malik-Sheriff, RS, Manners, EJ, Hermjakob, H & Ecker, GF 2022, 'KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study', Journal of Cheminformatics, vol. 14, no. 1, 37. https://doi.org/10.1186/s13321-022-00615-6
Naga, D, Muster, W, Musvasva, E & Ecker, GF 2022, 'Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules', Journal of Cheminformatics, vol. 14, no. 1, 27. https://doi.org/10.1186/s13321-022-00603-w
Ackloo, S, Al-awar, R, Amaro, RE, Arrowsmith, CH, Azevedo, H, Batey, RA, Bengio, Y, Betz, UAK, Bologa, CG, Chodera, JD, Cornell, WD, Dunham, I, Ecker, GF, Edfeldt, K, Edwards, AM, Gilson, MK, Gordijo, CR, Hessler, G, Hillisch, A, Hogner, A, Irwin, JJ, Jansen, JM, Kuhn, D, Leach, AR, Lee, AA, Lessel, U, Morgan, MR, Moult, J, Muegge, I, Oprea, T, Perry, BG, Riley, P, Rousseaux, SAL, Saikatendu, KS, Santhakumar, V, Schapira, M, Scholten, C, Todd, MH, Vedadi, M, Volkamer, A & Willson, TM 2022, 'CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding', Nature reviews chemistry, vol. 6, no. 4, pp. 287-295. https://doi.org/10.1038/s41570-022-00363-z
Brecklinghaus, T, Albrecht, W, Kappenberg, F, Duda, J, Vartak, N, Edlund, K, Marchan, R, Ghallab, A, Cadenas, C, Günther, G, Leist, M, Zhang, M, Gardner, I, Reinders, J, Russel, FGM, Foster, AJ, Williams, DP, Damle-Vartak, A, Grandits, M, Ecker, G, Kittana, N, Rahnenführer, J & Hengstler, JG 2022, 'The hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds', Chemico-Biological Interactions, vol. 351, 109728. https://doi.org/10.1016/j.cbi.2021.109728
2021
Loser, D, Grillberger, K, Hinojosa, MG, Blum, J, Haufe, Y, Danker, T, Johansson, Y, Möller, C, Nicke, A, Bennekou, SH, Gardner, I, Bauch, C, Walker, P, Forsby, A, Ecker, GF, Kraushaar, U & Leist, M 2021, 'Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling', Archives of Toxicology, vol. 95, no. 12, pp. 3695-3716. https://doi.org/10.1007/s00204-021-03168-z
Kickinger, S, Lie, MEK, Suemasa, A, Al-Khawaja, A, Fujiwara, K, Watanabe, M, Wilhelmsen, KS, Falk-Petersen, CB, Frølund, B, Shuto, S, Ecker, GF & Wellendorph, P 2021, 'Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1', Frontiers in Chemistry, vol. 9, 736457. https://doi.org/10.3389/fchem.2021.736457
Dvorak, V, Wiedmer, T, Ingles-Prieto, A, Altermatt, P, Batoulis, H, Bärenz, F, Bender, E, Digles, D, Dürrenberger, F, Heitman, LH, IJzerman, AP, Kell, DB, Kickinger, S, Körzö, D, Leippe, P, Licher, T, Manolova, V, Rizzetto, R, Sassone, F, Scarabottolo, L, Schlessinger, A, Schneider, V, Sijben, HJ, Steck, A-L, Sundström, H, Tremolada, S, Wilhelm, M, Wright Muelas, M, Zindel, D, Steppan, CM & Superti-Furga, G 2021, 'An Overview of Cell-Based Assay Platforms for the Solute Carrier Family of Transporters', Frontiers in Pharmacology, vol. 12, 722889. https://doi.org/10.3389/fphar.2021.722889
Showing entries 21 - 30 out of 262