Steffen Neumann

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Emma SchymanskiFull 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
Kristian PetersGerman Centre for Integrative Biodiversity Research (iDiv), Martin-Luther University of HalleVerified email at ipb-halle.de
Susanna-Assunta SansoneUniversity of Oxford, Academic Lead for Research Practice; Professor of Data ReadinessVerified email at oerc.ox.ac.uk
Kenneth HaugbiomodalVerified email at biomodal.com
Janna HastingsUniversity of Zurich, University of St. GallenVerified email at uzh.ch
Juliane HollenderSenior scientist at Eawag & adjunct professor at ETH ZurichVerified email at eawag.ch
Dierk ScheelDirector Dep. of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, HalleVerified email at ipb-halle.de
Henning HermjakobHead of Molecular Systems, European Bioinformatics Institute (EMBL-EBI)Verified email at ebi.ac.uk
Alejandra Gonzalez-BeltranHead of Data, UK Atomic Energy AuthorityVerified email at ukaea.uk
Oliver FiehnUC DavisVerified email at ucdavis.edu
Mark R. ViantProfessor of Metabolomics, University of Birmingham, UKVerified email at bham.ac.uk
Ralf WeberLecturer in Data Science and Computational Metabolomics, University of Birmingham, United KingdomVerified email at bham.ac.uk
Martin KraussVerified email at ufz.de
Oscar YanesUniversitat Rovira i Virgili & CIBERDEMVerified email at urv.cat
Sebastian BöckerProfessor für Bioinformatik, FSU JenaVerified email at uni-jena.de
Jan StanstrupDepartment of Plant and Environmental Sciences, University of CopenhagenVerified email at plen.ku.dk
Darren CreekProfessor, Drug Delivery, Disposition & Dynamics, Monash Institute of PharmaceuticalVerified email at monash.edu

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	3521	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	2393	2010
Highly sensitive feature detection for high resolution LC/MS R Tautenhahn, C Böttcher, S Neumann BMC bioinformatics 9, 1-16, 2008	1257	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	1193	2012
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	1003	2020
MetFrag relaunched: incorporating strategies beyond in silico fragmentation C Ruttkies, EL Schymanski, S Wolf, J Hollender, S Neumann Journal of cheminformatics 8, 1-16, 2016	947	2016
In silico fragmentation for computer assisted identification of metabolite mass spectra S Wolf, S Schmidt, M Müller-Hannemann, S Neumann BMC bioinformatics 11, 1-12, 2010	767	2010
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	722	2011
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	709	2013
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown, R Breitling, ... Metabolomics 9, 44-66, 2013	653	2013
Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices S Alseekh, A Aharoni, Y Brotman, K Contrepois, J D’Auria, J Ewald, ... Nature methods 18 (7), 747-756, 2021	640	2021
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	563	2016
Toward interoperable bioscience data SA Sansone, P Rocca-Serra, D Field, E Maguire, C Taylor, O Hofmann, ... Nature genetics 44 (2), 121-126, 2012	491	2012
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	423	2016
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	359	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, 1-10, 2015	351	2015
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	322	2010
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	308	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, 350-353, 2014	252	2014
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	245	2015

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