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How do metabolites differ from their parent molecules and how are they excreted?
Kirchmair J, Howlett A, Peironcely JE, Murrell DS, Williamson MJ, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC. Kirchmair J, et al. Among authors: hankemeier t. J Chem Inf Model. 2013 Feb 25;53(2):354-67. doi: 10.1021/ci300487z. Epub 2013 Jan 25. J Chem Inf Model. 2013. PMID: 23351040
OMG: Open Molecule Generator.
Peironcely JE, Rojas-Chertó M, Fichera D, Reijmers T, Coulier L, Faulon JL, Hankemeier T. Peironcely JE, et al. Among authors: hankemeier t. J Cheminform. 2012 Sep 17;4(1):21. doi: 10.1186/1758-2946-4-21. J Cheminform. 2012. PMID: 22985496 Free PMC article.
PhenoMeNal: processing and analysis of metabolomics data in the cloud.
Peters K, Bradbury J, Bergmann S, Capuccini M, Cascante M, de Atauri P, Ebbels TMD, Foguet C, Glen R, Gonzalez-Beltran A, Günther UL, Handakas E, Hankemeier T, Haug K, Herman S, Holub P, Izzo M, Jacob D, Johnson D, Jourdan F, Kale N, Karaman I, Khalili B, Emami Khonsari P, Kultima K, Lampa S, Larsson A, Ludwig C, Moreno P, Neumann S, Novella JA, O'Donovan C, Pearce JTM, Peluso A, Piras ME, Pireddu L, Reed MAC, Rocca-Serra P, Roger P, Rosato A, Rueedi R, Ruttkies C, Sadawi N, Salek RM, Sansone SA, Selivanov V, Spjuth O, Schober D, Thévenot EA, Tomasoni M, van Rijswijk M, van Vliet M, Viant MR, Weber RJM, Zanetti G, Steinbeck C. Peters K, et al. Among authors: hankemeier t. Gigascience. 2019 Feb 1;8(2):giy149. doi: 10.1093/gigascience/giy149. Gigascience. 2019. PMID: 30535405 Free PMC article.
343 results