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ORCIDEmma Schymanski
Person information
- affiliation: LCSB, University of Luxembourg, Belvaux, Luxembourg
- affiliation (former): Eawag, Dübendorf, Switzerland
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2020 – today
- 2022
[d1]Rick Helmus
, Bas van de Velde, Andrea M. Brunner, Thomas L. ter Laak, Annemarie P. van Wezel, Emma Schymanski:
patRoon 2.0: Improved non-target analysis workflows including automated transformation product screening. J. Open Source Softw. 7(71): 4029 (2022)- 2021
- [j6]Rick Helmus, Thomas L. ter Laak, Annemarie P. van Wezel, Pim de Voogt, Emma Schymanski:
patRoon: open source software platform for environmental mass spectrometry based non-target screening. J. Cheminformatics 13(1): 1 (2021) - [j5]Emma Schymanski, Todor Kondic, Steffen Neumann, Paul A. Thiessen, Jian Zhang, Evan Bolton:
Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J. Cheminformatics 13(1): 19 (2021) - [j4]Emma Schymanski, Evan Bolton:
FAIR chemical structures in the Journal of Cheminformatics. J. Cheminformatics 13(1): 50 (2021) - 2020
- [i3]Sebastian Böcker, Corey Broeckling, Emma Schymanski, Nicola Zamboni:
Computational Metabolomics: From Cheminformatics to Machine Learning (Dagstuhl Seminar 20051). Dagstuhl Reports 10(1): 144-159 (2020)
2010 – 2019
- 2018
- [j3]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
- [j2]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) - [i2]Theodore Alexandrov, Sebastian Böcker, Pieter C. Dorrestein, Emma Schymanski:
Computational Metabolomics: Identification, Interpretation, Imaging (Dagstuhl Seminar 17491). Dagstuhl Reports 7(12): 1-17 (2017) - 2016
- [j1]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) - 2015
- [i1]Sebastian Böcker, Juho Rousu, Emma Schymanski:
Computational Metabolomics (Dagstuhl Seminar 15492). Dagstuhl Reports 5(11): 180-192 (2015) - 2013
- [b1]Adalbert Kerber, Reinhard Laue, Markus Meringer, Christoph Rücker, Emma Schymanski:
Mathematical Chemistry and Chemoinformatics - Structure Generation, Elucidation and Quantitative Structure-Property Relationships. de Gruyter 2013, ISBN 978-3-11-030007-9, pp. I-XXIX, 1-491
Coauthor Index
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