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Publication search results
found 6 matches
- 2022
- Christoph Ruttkies:
Enhancing the identification of small molecules based on tandem mass spectra and combinatorial fragmentation. University of Halle, Germany, 2022 - 2019
- Payam Emami Khoonsari, Pablo A. Moreno, Sven Bergmann, Joachim Burman, Marco Capuccini, Matteo Carone, Marta Cascante, Pedro de Atauri, Carles Foguet, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Sijin He, Stephanie Herman, David Johnson, Namrata Kale, Anders Larsson, Steffen Neumann, Kristian Peters, Luca Pireddu, Philippe Rocca-Serra, Pierrick Roger, Rico Rueedi, Christoph Ruttkies, Noureddin Sadawi, Reza M. Salek, Susanna-Assunta Sansone, Daniel Schober, Vitaly A. Selivanov, Etienne A. Thévenot, Michael van Vliet, Gianluigi Zanetti, Christoph Steinbeck, Kim Kultima, Ola Spjuth:
Interoperable and scalable data analysis with microservices: applications in metabolomics. Bioinform. 35(19): 3752-3760 (2019) - Christoph Ruttkies, Steffen Neumann, Stefan Posch:
Improving MetFrag with statistical learning of fragment annotations. BMC Bioinform. 20(1): 376:1-376:14 (2019) - 2018
- Andrew D. McEachran, Kamel Mansouri, Christopher M. Grulke, Emma Schymanski, Christoph Ruttkies, Antony J. Williams:
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. J. Cheminformatics 10(1): 45:1-45:16 (2018) - 2017
- Emma Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann:
Critical Assessment of Small Molecule Identification 2016: automated methods. J. Cheminformatics 9(1): 22:1-22:21 (2017) - 2016
- Christoph Ruttkies, Emma Schymanski, Sebastian Wolf, Juliane Hollender, Steffen Neumann:
MetFrag relaunched: incorporating strategies beyond in silico fragmentation. J. Cheminformatics 8(1): 3:1-3:16 (2016)
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