Steffen Neumann

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Emma SchymanskiAssoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Philippe Rocca-SerraUniversity of OxfordVerified email at oerc.ox.ac.uk
Ralf TautenhahnThermo Fisher ScientificVerified email at thermofisher.com
Kenneth HaugCambridge EpigenetixVerified email at cegx.co.uk
Susanna-Assunta SansoneUniversity of Oxford, Professor of Data Readiness; Oxford e-Research Centre, Associate Director.Verified email at oerc.ox.ac.uk
Eamonn MaguireSenior Marie Curie Fellow, CERNVerified email at oerc.ox.ac.uk
Janna HastingsUCL, OvGU Magdeburg, EPFL, (from August 2022: HSG, UZH)Verified email at ucl.ac.uk
Alejandra Gonzalez-BeltranData & Software Engineering Group Leader, Scientific Computing Department, Science andVerified email at stfc.ac.uk
Dierk ScheelDirector Dep. of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, HalleVerified email at ipb-halle.de
Mark R. ViantProfessor of Metabolomics, University of Birmingham, UKVerified email at bham.ac.uk
Juliane HollenderHead of Department, EawagVerified email at eawag.ch
Ralf WeberDirector of Bioinformatics, Phenome Centre Birmingham, University of Birmingham, United KingdomVerified email at bham.ac.uk
Tobias SchulzeSenior Researcher, Helmholtz Centre for Environmental Research - UFZVerified email at ufz.de
Martin KraussVerified email at ufz.de
Sebastian BöckerProfessor für Bioinformatik, FSU JenaVerified email at uni-jena.de
Griffin JLUniversity of CambridgeVerified email at cam.ac.uk
Oscar YanesUniversitat Rovira i Virgili & CIBERDEMVerified email at urv.cat
Darren CreekAssociate Professor, Drug Delivery, Disposition & Dynamics, Monash Institute of PharmaceuticalVerified email at monash.edu
Warwick DunnDepartment of Biochemistry and Systems Biology, ISMIB, University of LiverpoolVerified email at liverpool.ac.uk

Steffen Neumann

Leibniz Institute of Plant Biochemistry

Verified email at ipb-halle.de - Homepage

Bioinformatics Metabolomics Computational Mass Spectrometry NFDI4Chem


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A cross-platform toolkit for mass spectrometry and proteomics MC Chambers, B Maclean, R Burke, D Amodei, DL Ruderman, ... Nature biotechnology 30 (10), 918-920, 2012	2037	2012
MassBank: a public repository for sharing mass spectral data for life sciences H Horai, M Arita, S Kanaya, Y Nihei, T Ikeda, K Suwa, Y Ojima, K Tanaka, ... Journal of mass spectrometry 45 (7), 703-714, 2010	1678	2010
Highly sensitive feature detection for high resolution LC/MS R Tautenhahn, C Böttcher, S Neumann BMC bioinformatics 9 (1), 1-16, 2008	955	2008
CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets C Kuhl, R Tautenhahn, C Bottcher, TR Larson, S Neumann Analytical chemistry 84 (1), 283-289, 2012	858	2012
In silico fragmentation for computer assisted identification of metabolite mass spectra S Wolf, S Schmidt, M Müller-Hannemann, S Neumann BMC bioinformatics 11 (1), 1-12, 2010	609	2010
MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data K Haug, RM Salek, P Conesa, J Hastings, P De Matos, M Rijnbeek, ... Nucleic acids research 41 (D1), D781-D786, 2013	607	2013
MetFrag relaunched: incorporating strategies beyond in silico fragmentation C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann Journal of cheminformatics 8 (1), 1-16, 2016	576	2016
mzML—a community standard for mass spectrometry data L Martens, M Chambers, M Sturm, D Kessner, F Levander, J Shofstahl, ... Molecular & Cellular Proteomics 10 (1), 2011	565	2011
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown, R Breitling, ... Metabolomics 9 (1), 44-66, 2013	509	2013
Toward interoperable bioscience data SA Sansone, P Rocca-Serra, D Field, E Maguire, C Taylor, O Hofmann, ... Nature genetics 44 (2), 121-126, 2012	407	2012
Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects M Vinaixa, EL Schymanski, S Neumann, M Navarro, RM Salek, O Yanes TrAC Trends in Analytical Chemistry 78, 23-35, 2016	364	2016
Effect-directed analysis supporting monitoring of aquatic environments—an in-depth overview W Brack, S Ait-Aissa, RM Burgess, W Busch, N Creusot, C Di Paolo, ... Science of the Total Environment 544, 1073-1118, 2016	287	2016
ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level P Rocca-Serra, M Brandizi, E Maguire, N Sklyar, C Taylor, K Begley, ... Bioinformatics 26 (18), 2354-2356, 2010	284	2010
Feature-based molecular networking in the GNPS analysis environment LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ... Nature methods 17 (9), 905-908, 2020	280	2020
Future water quality monitoring—Adapting tools to deal with mixtures of pollutants in water resource management R Altenburger, S Ait-Aissa, P Antczak, T Backhaus, D Barceló, TB Seiler, ... Science of the total environment 512, 540-551, 2015	275	2015
IPO: a tool for automated optimization of XCMS parameters G Libiseller, M Dvorzak, U Kleb, E Gander, T Eisenberg, F Madeo, ... BMC bioinformatics 16 (1), 1-10, 2015	237	2015
RAMClust: a novel feature clustering method enables spectral-matching-based annotation for metabolomics data CD Broeckling, FA Afsar, S Neumann, A Ben-Hur, JE Prenni Analytical chemistry 86 (14), 6812-6817, 2014	219	2014
Metabolite identification: are you sure? And how do your peers gauge your confidence? DJ Creek, WB Dunn, O Fiehn, JL Griffin, RD Hall, Z Lei, R Mistrik, ... Metabolomics 10 (3), 350-353, 2014	201	2014
Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements E Lange, R Tautenhahn, S Neumann, C Gröpl BMC bioinformatics 9 (1), 1-19, 2008	200	2008
The SOLUTIONS project: challenges and responses for present and future emerging pollutants in land and water resources management W Brack, R Altenburger, G Schüürmann, M Krauss, DL Herráez, J van Gils, ... Science of the total environment 503, 22-31, 2015	195	2015

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