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

Por Treutler, Hendrik, Neumann, Steffen
Publicado no Metabolites (2016)

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

Por Schymanski, Emma L., Neumann, Steffen
Publicado em 2013

CASMI: And the Winner is ..

Por Schymanski, Emma L., Neumann, Steffen
Publicado em 2013

Highly sensitive feature detection for high resolution LC/MS

Por Tautenhahn, Ralf, Böttcher, Christoph, Neumann, Steffen
Publicado em 2008

Tackling CASMI 2012: Solutions from MetFrag and MetFusion

Por Ruttkies, Christoph, Gerlich, Michael, Neumann, Steffen
Publicado em 2013

Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements

Por Lange, Eva, Tautenhahn, Ralf, Neumann, Steffen, Gröpl, Clemens
Publicado em 2008

Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

Por Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph
Publicado em 2008

Joint Analysis of Dependent Features within Compound Spectra Can Improve Detection of Differential Features

Por Trutschel, Diana, Schmidt, Stephan, Grosse, Ivo, Neumann, Steffen
Publicado no Front Bioeng Biotechnol (2015)

In silico fragmentation for computer assisted identification of metabolite mass spectra

Por Müller-Hannemann Matthias, Schmidt Stephan, Wolf Sebastian, Neumann Steffen
Publicado em 2010-03-01

In silico fragmentation for computer assisted identification of metabolite mass spectra

Por Wolf, Sebastian, Schmidt, Stephan, Müller-Hannemann, Matthias, Neumann, Steffen
Publicado em 2010

Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS

Por Schymanski, Emma L., Gerlich, Michael, Ruttkies, Christoph, Neumann, Steffen
Publicado no Mass Spectrom (Tokyo) (2014)

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

Por Witting, Michael, Ruttkies, Christoph, Neumann, Steffen, Schmitt-Kopplin, Philippe
Publicado no PLoS One (2017)

CAMERA: An integrated strategy for compound spectra extraction and annotation of LC/MS data sets

Por Kuhl, Carsten, Tautenhahn, Ralf, Böttcher, Christoph, Larson, Tony R., Neumann, Steffen
Publicado em 2011

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

Por Ruttkies, Christoph, Schymanski, Emma L., Wolf, Sebastian, Hollender, Juliane, Neumann, Steffen
Publicado no J Cheminform (2016)

Comparative expression profiling reveals a role of the root apoplast in local phosphate response

Por Hoehenwarter, Wolfgang, Mönchgesang, Susann, Neumann, Steffen, Majovsky, Petra, Abel, Steffen, Müller, Jens
Publicado no BMC Plant Biol (2016)

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

Por Mönchgesang, Susann, Strehmel, Nadine, Trutschel, Diana, Westphal, Lore, Neumann, Steffen, Scheel, Dierk
Publicado no Int J Mol Sci (2016)

The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again

Por González-Beltrán, Alejandra, Neumann, Steffen, Maguire, Eamonn, Sansone, Susanna-Assunta, Rocca-Serra, Philippe
Publicado em 2014

Metabolome Analysis of Biosynthetic Mutants Reveals a Diversity of Metabolic Changes and Allows Identification of a Large Number of New Compounds in Arabidopsis

Por Böttcher, Christoph, von Roepenack-Lahaye, Edda, Schmidt, Jürgen, Schmotz, Constanze, Neumann, Steffen, Scheel, Dierk, Clemens, Stephan
Publicado em 2008

Natural variation of root exudates in Arabidopsis thaliana-linking metabolomic and genomic data

Por Mönchgesang, Susann, Strehmel, Nadine, Schmidt, Stephan, Westphal, Lore, Taruttis, Franziska, Müller, Erik, Herklotz, Siska, Neumann, Steffen, Scheel, Dierk
Publicado no Sci Rep (2016)

IPO: a tool for automated optimization of XCMS parameters

Por Libiseller, Gunnar, Dvorzak, Michaela, Kleb, Ulrike, Gander, Edgar, Eisenberg, Tobias, Madeo, Frank, Neumann, Steffen, Trausinger, Gert, Sinner, Frank, Pieber, Thomas, Magnes, Christoph
Publicado no BMC Bioinformatics (2015)