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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2013 2
2014 1
2015 2
2016 2
2017 4
2018 3
2019 5
2020 0
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19 results
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Page 1
Current Challenges in Plant Eco-Metabolomics.
Peters K, Worrich A, Weinhold A, Alka O, Balcke G, Birkemeyer C, Bruelheide H, Calf OW, Dietz S, Dührkop K, Gaquerel E, Heinig U, Kücklich M, Macel M, Müller C, Poeschl Y, Pohnert G, Ristok C, Rodríguez VM, Ruttkies C, Schuman M, Schweiger R, Shahaf N, Steinbeck C, Tortosa M, Treutler H, Ueberschaar N, Velasco P, Weiß BM, Widdig A, Neumann S, Dam NMV. Peters K, et al. Among authors: ruttkies c. Int J Mol Sci. 2018 May 6;19(5):1385. doi: 10.3390/ijms19051385. Int J Mol Sci. 2018. PMID: 29734799 Free PMC article. Review.
Bioinformatics can boost metabolomics research.
Meier R, Ruttkies C, Treutler H, Neumann S. Meier R, et al. Among authors: ruttkies c. J Biotechnol. 2017 Nov 10;261:137-141. doi: 10.1016/j.jbiotec.2017.05.018. Epub 2017 May 26. J Biotechnol. 2017. PMID: 28554829 Free article. Review.
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: ruttkies c. Gigascience. 2019 Feb 1;8(2):giy149. doi: 10.1093/gigascience/giy149. Gigascience. 2019. PMID: 30535405 Free PMC article.
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies.
McEachran AD, Mansouri K, Grulke C, Schymanski EL, Ruttkies C, Williams AJ. McEachran AD, et al. Among authors: ruttkies c. J Cheminform. 2018 Aug 30;10(1):45. doi: 10.1186/s13321-018-0299-2. J Cheminform. 2018. PMID: 30167882 Free PMC article.
Effect-directed analysis supporting monitoring of aquatic environments--An in-depth overview.
Brack W, Ait-Aissa S, Burgess RM, Busch W, Creusot N, Di Paolo C, Escher BI, Mark Hewitt L, Hilscherova K, Hollender J, Hollert H, Jonker W, Kool J, Lamoree M, Muschket M, Neumann S, Rostkowski P, Ruttkies C, Schollee J, Schymanski EL, Schulze T, Seiler TB, Tindall AJ, De Aragão Umbuzeiro G, Vrana B, Krauss M. Brack W, et al. Among authors: ruttkies c. Sci Total Environ. 2016 Feb 15;544:1073-118. doi: 10.1016/j.scitotenv.2015.11.102. Epub 2016 Jan 11. Sci Total Environ. 2016. PMID: 26779957 Review.
Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMS.
Hu M, Müller E, Schymanski EL, Ruttkies C, Schulze T, Brack W, Krauss M. Hu M, et al. Among authors: ruttkies c. Anal Bioanal Chem. 2018 Mar;410(7):1931-1941. doi: 10.1007/s00216-018-0857-5. Epub 2018 Jan 30. Anal Bioanal Chem. 2018. PMID: 29380019
Improving MetFrag with statistical learning of fragment annotations.
Ruttkies C, Neumann S, Posch S. Ruttkies C, et al. BMC Bioinformatics. 2019 Jul 5;20(1):376. doi: 10.1186/s12859-019-2954-7. BMC Bioinformatics. 2019. PMID: 31277571 Free PMC article.
Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag.
Ruttkies C, Schymanski EL, Strehmel N, Hollender J, Neumann S, Williams AJ, Krauss M. Ruttkies C, et al. Anal Bioanal Chem. 2019 Jul;411(19):4683-4700. doi: 10.1007/s00216-019-01885-0. Epub 2019 Jun 17. Anal Bioanal Chem. 2019. PMID: 31209548 Free PMC article.
Interoperable and scalable data analysis with microservices: applications in metabolomics.
Emami Khoonsari P, Moreno P, Bergmann S, Burman J, Capuccini M, Carone M, Cascante M, de Atauri P, Foguet C, Gonzalez-Beltran AN, Hankemeier T, Haug K, He S, Herman S, Johnson D, Kale N, Larsson A, Neumann S, Peters K, Pireddu L, Rocca-Serra P, Roger P, Rueedi R, Ruttkies C, Sadawi N, Salek RM, Sansone SA, Schober D, Selivanov V, Thévenot EA, van Vliet M, Zanetti G, Steinbeck C, Kultima K, Spjuth O. Emami Khoonsari P, et al. Among authors: ruttkies c. Bioinformatics. 2019 Oct 1;35(19):3752-3760. doi: 10.1093/bioinformatics/btz160. Bioinformatics. 2019. PMID: 30851093 Free PMC article.
Exploring open cheminformatics approaches for categorizing per- and polyfluoroalkyl substances (PFASs).
Sha B, Schymanski EL, Ruttkies C, Cousins IT, Wang Z. Sha B, et al. Among authors: ruttkies c. Environ Sci Process Impacts. 2019 Nov 1;21(11):1835-1851. doi: 10.1039/c9em00321e. Epub 2019 Oct 2. Environ Sci Process Impacts. 2019. PMID: 31576380
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