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Author Details

Steffen Neumann
Leibniz Institute for Plant Biochemistry
2002
74
37
Timothy Clark (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36626722Proteomics Standards Initiative at Twenty Years: Current Activities and Future Work.J Proteome Res2023
37842337ELIXIR and Toxicology: a community in development.F1000Res2023
35208247A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R.Metabolites2022
35350714Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation.Front Mol Biosci2022
36347644Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.Angew Chem Int Ed Engl2022
34239102Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices.Nat Methods2021
33685519Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag.J Cheminform2021
33563993LC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods.Sci Data2021
33806786Untargeted In Silico Compound Classification-A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes.Int J Mol Sci2021
34552125Metabolic drift in the aging nervous system is reflected in human cerebrospinal fluid.Sci Rep2021
34299231Modulation of Phosphate Deficiency-Induced Metabolic Changes by Iron Availability in <i>Arabidopsis thaliana</i>.Int J Mol Sci2021
32839597Feature-based molecular networking in the GNPS analysis environment.Nat Methods2020
30688441mzTab-M: A Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics.Anal Chem2019
31614655Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species.Metabolites2019
31209548Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag.Anal Bioanal Chem2019
31548506The metaRbolomics Toolbox in Bioconductor and beyond.Metabolites2019
31277571Improving MetFrag with statistical learning of fragment annotations.BMC Bioinformatics2019
30851093Interoperable and scalable data analysis with microservices: applications in metabolomics.Bioinformatics2019
30535405PhenoMeNal: processing and analysis of metabolomics data in the cloud.Gigascience2019
29035042nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.Anal Chem2018
30103269ChemFrag: Chemically meaningful annotation of fragment ion mass spectra.J Mass Spectrom2018
30152810Computational workflow to study the seasonal variation of secondary metabolites in nine different bryophytes.Sci Data2018
30223552Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas.Metabolites2018
30271570Seasonal variation of secondary metabolites in nine different bryophytes.Ecol Evol2018
30270626Expanding the Use of Spectral Libraries in Proteomics.J Proteome Res2018
29734799Current Challenges in Plant Eco-Metabolomics.Int J Mol Sci2018
28554829Bioinformatics can boost metabolomics research.J Biotechnol2017
28278196LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome.PLoS One2017
29086042Critical Assessment of Small Molecule Identification 2016: automated methods.J Cheminform2017
26779957Effect-directed analysis supporting monitoring of aquatic environments--An in-depth overview.Sci Total Environ2016
26612985Data standards can boost metabolomics research, and if there is a will, there is a way.Metabolomics2016
27775610Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data.Metabolites2016
27824832SPLASH, a hashed identifier for mass spectra.Nat Biotechnol2016
27649165Plant-to-Plant Variability in Root Metabolite Profiles of 19 Arabidopsis thaliana Accessions Is Substance-Class-Dependent.Int J Mol Sci2016
27363486Natural variation of root exudates in Arabidopsis thaliana-linking metabolomic and genomic data.Sci Rep2016
27452369Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies.Anal Chem2016
27121119Comparative expression profiling reveals a role of the root apoplast in local phosphate response.BMC Plant Biol2016
26834843MetFrag relaunched: incorporating strategies beyond in silico fragmentation.J Cheminform2016
24951181The SOLUTIONS project: challenges and responses for present and future emerging pollutants in land and water resources management.Sci Total Environ2015
26491418COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access.Metabolomics2015
26289378PredRet: prediction of retention time by direct mapping between multiple chromatographic systems.Anal Chem2015
26442246Joint Analysis of Dependent Features within Compound Spectra Can Improve Detection of Differential Features.Front Bioeng Biotechnol2015
26212167Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.Rapid Commun Mass Spectrom2015
25888443IPO: a tool for automated optimization of XCMS parameters.BMC Bioinformatics2015
25879798BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology.BMC Bioinformatics2015
25644849Future water quality monitoring--adapting tools to deal with mixtures of pollutants in water resource management.Sci Total Environ2015
24564732The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again.BMC Bioinformatics2014
26819879Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.Mass Spectrom (Tokyo)2014
24980485The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience.Mol Cell Proteomics2014
24927477RAMClust: a novel feature clustering method enables spectral-matching-based annotation for metabolomics data.Anal Chem2014
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Collaborators

Reza M Salek
Co-authored papers 14
Christoph Steinbeck
Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena
Co-authored papers 13
Philippe Rocca-Serra
University of Oxford
Co-authored papers 12
Susanna-Assunta Sansone
Oxford e-Research Centre, University of Oxford
Co-authored papers 10
Kenneth Haug
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 8
Alejandra Gonzalez-Beltran
Oxford e-Research Centre, University of Oxford
Co-authored papers 6
Daniel Schober
Institute of Forensic Medicine, University of Bern
Co-authored papers 5
Eric W Deutsch
Institute for Systems Biology
Co-authored papers 5
Eamonn Maguire
Oxford e-Research Centre, University of Oxford
Co-authored papers 5
Henning Hermjakob
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 5
Nuno Bandeira
University of California
Co-authored papers 5
Pierre-Alain Binz
Co-authored papers 4
Andrew R Jones
Institute of Systems, University of Liverpool
Co-authored papers 4
Yasset Perez-Riverol
EMBL's European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 4
Julian L Griffin
Cambridge University
Co-authored papers 4
Daniel Jacob
University Bordeaux, Centre INRAE de Nouvelle-Aquitaine Bordeaux
Co-authored papers 4
Juan Antonio Vizca??no
EMBL-European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 4
Dawn Field
Biodiversity Institute, University of Oxford
Co-authored papers 3
Ola Spjuth
Department of Pharmaceutical Biosciences, Uppsala University
Co-authored papers 3
Chris F Taylor
European Molecular Biology Laboratory- European Bioinformatics Institute
Co-authored papers 3
Egon L Willighagen
Maastricht University
Co-authored papers 3
Laurent Gatto
de Duve Institute, Universite catholique de Louvain
Co-authored papers 3
Timo Sachsenberg
Institute for Bioinformatics and Medical Informatics, University of Tubingen
Co-authored papers 3
Matthew C Chambers
Co-authored papers 3
Ulrich L G??nther
Institute of Chemistry and Metabolomics, University of Lubeck
Co-authored papers 3
Janna Hastings
Institute for Implementation Science in Health Care, University of Zurich
Co-authored papers 3
Weida Tong
National Center for Toxicological Research
Co-authored papers 2
Sven Bergmann
University of Lausanne
Co-authored papers 2
Pieter C Dorrestein
Co-authored papers 2
Winston Hide
Harvard Medical School
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Release 1.2