Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data

by Hendrik Treutler, Steffen Neumann
Published 2016-10-01

CASMI: And the Winner is . . .

by Steffen Neumann, Emma L. Schymanski
Published 2013-05-01

The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions

by Steffen Neumann, Emma L. Schymanski
Published 2013-06-01

Improving MetFrag with statistical learning of fragment annotations

by Christoph Ruttkies, Steffen Neumann, Stefan Posch
Published 2019-07-01

Tackling CASMI 2012: Solutions from MetFrag and MetFusion

by Steffen Neumann, Michael Gerlich, Christoph Ruttkies
Published 2013-08-01

LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome.

by Michael Witting, Christoph Ruttkies, Steffen Neumann, Philippe Schmitt-Kopplin
Published 2017-01-01

Modulation of Phosphate Deficiency-Induced Metabolic Changes by Iron Availability in <i>Arabidopsis thaliana</i>

by Ranju Chutia, Sarah Scharfenberg, Steffen Neumann, Steffen Abel, Jörg Ziegler
Published 2021-07-01

Untargeted In Silico Compound Classification—A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes

by Kristian Peters, Gerd Balcke, Niklas Kleinenkuhnen, Hendrik Treutler, Steffen Neumann
Published 2021-03-01

Plant-to-Plant Variability in Root Metabolite Profiles of 19 Arabidopsis thaliana Accessions Is Substance-Class-Dependent

by Susann Mönchgesang, Nadine Strehmel, Diana Trutschel, Lore Westphal, Steffen Neumann, Dierk Scheel
Published 2016-09-01

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

by Kristian Peters, Hendrik Treutler, Stefanie Döll, Alida S. D. Kindt, Thomas Hankemeier, Steffen Neumann
Published 2019-10-01

Metabolic drift in the aging nervous system is reflected in human cerebrospinal fluid

by Kristian Peters, Stephanie Herman, Payam Emami Khoonsari, Joachim Burman, Steffen Neumann, Kim Kultima
Published 2021-09-01

LC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods

by Sue Marr, Jos A. Hageman, Ron Wehrens, Nicole M. van Dam, Helge Bruelheide, Steffen Neumann
Published 2021-02-01

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

by Emma L. Schymanski, Todor Kondić, Steffen Neumann, Paul A. Thiessen, Jian Zhang, Evan E. Bolton
Published 2021-03-01

Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas

by Clément Frainay, Emma L. Schymanski, Steffen Neumann, Benjamin Merlet, Reza M. Salek, Fabien Jourdan, Oscar Yanes
Published 2018-09-01

Oxaliplatin-Induced Leukocytoclastic Vasculitis under Adjuvant Chemotherapy for Colorectal Cancer: Two Cases of a Rare Adverse Event

by Henriette Quack, Luise Erpenbeck, Hendrik A. Wolff, Thilo Sprenger, Cornelia S. Seitz, Michael P. Schön, Steffen Neumann, Kathrin Stanek, B. Michael Ghadimi, Beate Michels, Peter Middel, Inga-Marie Schaefer, Torsten Liersch, Lena-Christin Conradi
Published 2013-12-01

Critical Assessment of Small Molecule Identification 2016: automated methods

by Emma L. 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
Published 2017-03-01

The metaRbolomics Toolbox in Bioconductor and beyond

by Jan Stanstrup, Corey D. Broeckling, Rick Helmus, Nils Hoffmann, Ewy Mathé, Thomas Naake, Luca Nicolotti, Kristian Peters, Johannes Rainer, Reza M. Salek, Tobias Schulze, Emma L. Schymanski, Michael A. Stravs, Etienne A. Thévenot, Hendrik Treutler, Ralf J. M. Weber, Egon Willighagen, Michael Witting, Steffen Neumann
Published 2019-09-01

NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany

by Christoph Steinbeck, Oliver Koepler, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes Liermann, Steffen Neumann, Matthias Razum, Carsten Baldauf, Frank Biedermann, Thomas Bocklitz, Franziska Boehm, Frank Broda, Paul Czodrowski, Thomas Engel, Martin Hicks, Stefan Kast, Carsten Kettner, Wolfram Koch, Giacomo Lanza, Andreas Link, Ricardo Mata, Wolfgang Nagel, Andrea Porzel, Nils Schlörer, Tobias Schulze, Hans-Georg Weinig, Wolfgang Wenzel, Ludger Wessjohann, Stefan Wulle
Published 2020-06-01

Current Challenges in Plant Eco-Metabolomics

by Kristian Peters, Anja Worrich, Alexander Weinhold, Oliver Alka, Gerd Balcke, Claudia Birkemeyer, Helge Bruelheide, Onno W. Calf, Sophie Dietz, Kai Dührkop, Emmanuel Gaquerel, Uwe Heinig, Marlen Kücklich, Mirka Macel, Caroline Müller, Yvonne Poeschl, Georg Pohnert, Christian Ristok, Victor Manuel Rodríguez, Christoph Ruttkies, Meredith Schuman, Rabea Schweiger, Nir Shahaf, Christoph Steinbeck, Maria Tortosa, Hendrik Treutler, Nico Ueberschaar, Pablo Velasco, Brigitte M. Weiß, Anja Widdig, Steffen Neumann, Nicole M. van Dam
Published 2018-05-01

The future of metabolomics in ELIXIR [version 1; referees: 2 approved, 1 approved with reservations]

by Merlijn van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez, Warwick B. Dunn, Timothy M. D. Ebbels, Franck Giacomoni, Alejandra Gonzalez-Beltran, Thomas Hankemeier, Kenneth Haug, Jose L. Izquierdo-Garcia, Rafael C. Jimenez, Fabien Jourdan, Namrata Kale, Maria I. Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Nicholas K. Moschonas, Steffen Neumann, Claire O’Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M. Salek, Susanna-Assunta Sansone, Venkata Satagopam, Daniel Schober, Ruth Shimmo, Rachel A. Spicer, Ola Spjuth, Etienne A. Thévenot, Mark R. Viant, Ralf J. M. Weber, Egon L. Willighagen, Gianluigi Zanetti, Christoph Steinbeck
Published 2017-09-01