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Emma 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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