المؤلفون: Emma L. Schymanski, B. Y. Loulou Peisl, Paul Wilmes

المصدر: Analytica Chimica Acta. 1037:13-27

مصطلحات موضوعية: 0301 basic medicine, Chemistry, Microbiota, 010401 analytical chemistry, Dark matter, 01 natural sciences, Biochemistry, Data science, Mass Spectrometry, 0104 chemical sciences, Analytical Chemistry, 03 medical and health sciences, 030104 developmental biology, Metabolomics, Human gut, Humans, Environmental Chemistry, Microbiome, Host (network), Spectroscopy

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e591ae45e6aa5e8d45a5a3efb2f35d04Test
https://doi.org/10.1016/j.aca.2017.12.034Test

المؤلفون: Oliver Jaeggi, Adelene Lai, Randolph R. Singh, Lubomira Kovalova, Todor Kondic, Emma L. Schymanski

المصدر: Environmental Sciences Europe (2190-4707) (Springer Science and Business Media LLC), 2021-04, Vol. 33, N. 1, P. 43 (21p.)

مصطلحات موضوعية: Identification, Environmental sciences & ecology [F08] [Life sciences], Monitoring, Scope (project management), Computer science, Cheminformatics, media_common.quotation_subject, Retrospective, Context (language use), Suspect screening, Wastewater, Data science, 6. Clean water, Non-target analysis, Identification (information), Sciences de l'environnement & écologie [F08] [Sciences du vivant], Workflow, 13. Climate action, Data quality, Environmental monitoring, Micropollutants, Quality (business), Regulation, media_common

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a7dca17823121ecb760141d38994d83Test
http://orbilu.uni.lu/handle/10993/48330Test

المؤلفون: Jessy Krier, Paul A. Thiessen, Jian Zhang, Randolph R. Singh, Adelene Lai, Todor Kondic, Evan E Bolton, Philippe Diderich, Emma L. Schymanski

مصطلحات موضوعية: Environmental sciences & ecology [F08] [Life sciences], Sciences de l'environnement & écologie [F08] [Sciences du vivant], Computer science, Cheminformatics, Data science, Transformation (music)

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::784ca3f04918134fc51bf0cd00971bb3Test
http://orbilu.uni.lu/handle/10993/48327Test

المؤلفون: Jian Zhang, Steffen Neumann, Evan E Bolton, Todor Kondic, Paul A. Thiessen, Emma L. Schymanski

المساهمون: Fonds National de la Recherche - FnR [sponsor]

المصدر: Journal of Cheminformatics
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-15 (2021)

مصطلحات موضوعية: 0301 basic medicine, Environmental sciences & ecology [F08] [Life sciences], Identification, Compound database, Big data, Context (language use), Multidisciplinary, general & others [F99] [Life sciences], PubChemLite, MetFrag, 010501 environmental sciences, Library and Information Sciences, High resolution mass spectrometry, 01 natural sciences, Environmental science, lcsh:Chemistry, Compound knowledge base, Multidisciplinaire, généralités & autres [F99] [Sciences du vivant], 03 medical and health sciences, Resource (project management), Physical and Theoretical Chemistry, FAIR, 0105 earth and related environmental sciences, lcsh:T58.5-58.64, lcsh:Information technology, business.industry, Cheminformatics, Findability, Computer Graphics and Computer-Aided Design, Data science, Computer Science Applications, Sciences de l'environnement & écologie [F08] [Sciences du vivant], Chemical database, Identification (information), 030104 developmental biology, Workflow, lcsh:QD1-999, Open science, business, Exposomics, PubChem, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1207754bd61ad0c28170b0aae80036dcTest
https://doi.org/10.21203/rs.3.rs-107432/v1Test

المؤلفون: Emma L. Schymanski, Tobias Schulze, Adrian Covaci, Laurent Debrauwer, François Fenaille, Martin Krauss, Marja H. Lamoree, Kathleen Rousseau, Annelaure Damont, Herbert Oberacher, Noelia Caballero-Casero, Michael Sasse, Emilien L. Jamin, Jean-Philippe Antignac, Yann Guitton

المساهمون: University of Innsbruck, Laboratoire d'étude des Résidus et Contaminants dans les Aliments (LABERCA), Ecole Nationale Vétérinaire, Agroalimentaire et de l'alimentation Nantes-Atlantique (ONIRIS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Analyse de Xénobiotiques, Identification, Métabolisme (E20 Metatoul-AXIOM), MetaToul-MetaboHUB, Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Ecole Nationale Vétérinaire de Toulouse (ENVT), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-ToxAlim (ToxAlim), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Vétérinaire de Toulouse (ENVT), Université Fédérale Toulouse Midi-Pyrénées-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Ecole d'Ingénieurs de Purpan (INPT - EI Purpan), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Helmholtz Zentrum für Umweltforschung = Helmholtz Centre for Environmental Research (UFZ), Toxicological Center, University of Antwerp (UA)-Partenaires IRSTEA, Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA), Médicaments et Technologies pour la Santé (MTS), Université Paris-Saclay-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Vrije Universiteit Brussel [Bruxelles] (VUB), Luxembourg Centre For Systems Biomedicine (LCSB), University of Luxembourg [Luxembourg], The authors acknowledge financial support by the HBM4EU project. HBM4EU has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 733032., European Project: 733032, Leopold Franzens Universität Innsbruck - University of Innsbruck, École nationale vétérinaire, agroalimentaire et de l'alimentation Nantes-Atlantique (ONIRIS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Metatoul AXIOM (E20 ), MetaboHUB-MetaToul, MetaboHUB-Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université de Toulouse (UT)-Université de Toulouse (UT)-Ecole Nationale Vétérinaire de Toulouse (ENVT), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-MetaboHUB-Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université de Toulouse (UT)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-ToxAlim (ToxAlim), Université de Toulouse (UT)-Ecole d'Ingénieurs de Purpan (INP - PURPAN), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Ecole d'Ingénieurs de Purpan (INP - PURPAN), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Génopole Toulouse Midi-Pyrénées [Auzeville] (GENOTOUL), Université Fédérale Toulouse Midi-Pyrénées-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-ToxAlim (ToxAlim), ToxAlim (ToxAlim), Helmholtz Centre for Environmental Research (UFZ), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Paris-Saclay, E&H: Environmental Chemistry and Toxicology, AIMMS, Fonds National de la Recherche - FnR [sponsor], Luxembourg Centre for Systems Biomedicine (LCSB) [research center]

المصدر: Environmental sciences Europe
Environmental sciences : an international journal of environmental physiology and toxicology
Environmental sciences : an international journal of environmental physiology and toxicology, 2020, 32 (1), pp.43. ⟨10.1186/s12302-020-00314-9⟩
Environmental Sciences Europe, 32(1):43, 1-19. Springer Verlag
info:eu-repo/grantAgreement/EC/H2020/733032
Oberacher, H, Sasse, M, Antignac, J P, Guitton, Y, Debrauwer, L, Jamin, E L, Schulze, T, Krauss, M, Covaci, A, Caballero-Casero, N, Rousseau, K, Damont, A, Fenaille, F, Lamoree, M & Schymanski, E L 2020, ' A European proposal for quality control and quality assurance of tandem mass spectral libraries ', Environmental Sciences Europe, vol. 32, no. 1, 43, pp. 1-19 . https://doi.org/10.1186/s12302-020-00314-9Test
Environmental Sciences Europe

مصطلحات موضوعية: [SDV.SA]Life Sciences [q-bio]/Agricultural sciences, Compound identification, Computer science, [SDV]Life Sciences [q-bio], Liquid chromatography mass spectrometry, Tandem mass spectral library, Context (language use), HRMS, Orbitrap, Tandem mass spectrometry, Non-targeted analysis, 01 natural sciences, Environmental science, law.invention, Chemistry [G01] [Physical, chemical, mathematical & earth Sciences], 03 medical and health sciences, law, Biology, 030304 developmental biology, 0303 health sciences, business.industry, 010401 analytical chemistry, Comparability, Quality control, Pollution, Data science, Quality assurance, 0104 chemical sciences, Human biomonitoring, Identification (information), Chemistry, Chimie [G01] [Physique, chimie, mathématiques & sciences de la terre], Ion trap, Suspect, business, Exposomics

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb29f43fc6d94f66c3bcbd60f60d5cdbTest
https://hdl.handle.net/10067/1676870151162165141Test

المؤلفون: Bo Sha, Ian T. Cousins, Emma L. Schymanski, Zhanyun Wang, Christoph Ruttkies

المصدر: Environmental Science: Processes & Impacts, 21 (11)

مصطلحات موضوعية: Fluorocarbons, 010504 meteorology & atmospheric sciences, Molecular Structure, Computer science, Cheminformatics, Public Health, Environmental and Occupational Health, Public concern, General Medicine, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, Data science, 3. Good health, Terminology, Workflow, Categorization, Environmental Chemistry, Humans, 0105 earth and related environmental sciences

وصف الملف: application/application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83a400ffb6f055e853ca35207144e877Test
https://pubmed.ncbi.nlm.nih.gov/31576380Test

المؤلفون: Heinz Singer, Emma L. Schymanski, P. Lee Ferguson, Juliane Hollender

المصدر: Environmental Science & Technology. 51:11505-11512

مصطلحات موضوعية: Prioritization, Engineering, business.industry, Water pollutants, 010401 analytical chemistry, High resolution, Nanotechnology, General Chemistry, 010501 environmental sciences, 01 natural sciences, Data science, Gas Chromatography-Mass Spectrometry, Mass Spectrometry, 0104 chemical sciences, Rivers, Environmental monitoring, Treatment assessment, Environmental Chemistry, business, Water Pollutants, Chemical, Environmental Monitoring, 0105 earth and related environmental sciences

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da755cf936863cd9f9fb31101800eafcTest
https://doi.org/10.1021/acs.est.7b02184Test

المؤلفون: Nicole Paczia, Rudi Balling, Pierre Kolber, Randolph R. Singh, Rejko Krüger, Jean-Pierre Trezzi, Carole L. Linster, Paul Wilmes, Antony J. Williams, Emma L. Schymanski, Nancy C. Baker

المصدر: Environmental science. Processesimpacts. 21(9)

مصطلحات موضوعية: 010504 meteorology & atmospheric sciences, Computer science, Public Health, Environmental and Occupational Health, Neurodegenerative Diseases, General Medicine, Patient exposure, Environmental exposure, Environmental Exposure, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, Data science, Mass Spectrometry, Human health, Computational Chemistry, Cheminformatics, Biological validation, Environmental Chemistry, Humans, Research questions, Identification (biology), Environmental Pollutants, Scientific disciplines, Biomarkers, 0105 earth and related environmental sciences

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5620f8271ae6a9c7126df72b523835bTest
https://pubmed.ncbi.nlm.nih.gov/31305828Test

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

المصدر: Metabolites 9:200 (2019)
Metabolites
Stanstrup, J, Broeckling, C D, Helmus, R, Hoffmann, N, Mathé, E, Naake, T, Nicolotti, L, Peters, K, Rainer, J, Salek, R M, Schulze, T, Schymanski, E L, Stravs, M A, Thévenot, E A, Treutler, H, Weber, R J M, Willighagen, E, Witting, M & Neumann, S 2019, ' The metaRbolomics Toolbox in Bioconductor and beyond ', Metabolites, vol. 9, no. 10, 200 . https://doi.org/10.3390/metabo9100200Test
Metabolites, Vol 9, Iss 10, p 200 (2019)

مصطلحات موضوعية: Compound identification, Computer science, Endocrinology, Diabetes and Metabolism, lcsh:QR1-502, Bioconductor, Statistical data analysis, Review, computer.software_genre, 01 natural sciences, Biochemistry, lcsh:Microbiology, feature selection, Faculty of Science, 0303 health sciences, AN R PACKAGE, mass Spectrometry, metabolomics, Toolbox, ddc, FLOW-INJECTION, Feature selection, Data integration, User interface, statistical data analysis, Workflow management system, Signal processing, HUMAN METABOLOME DATABASE, metabolite networks, HIGH-THROUGHPUT, 03 medical and health sciences, NMR spectroscopy, CRAN, PEAK DETECTION, Metabolomics, Human Metabolome Database, signal processing, Molecular Biology, data integration, 030304 developmental biology, Mass spectrometry, 010401 analytical chemistry, OPEN SOURCE SOFTWARE, bioconductor, Data science, Lipidomics, Mass Spectrometry, Nmr Spectroscopy, R, Cran, Signal Processing, Statistical Data Analysis, Feature Selection, Compound Identification, Metabolite Networks, Data Integration, 0104 chemical sciences, MASS-SPECTROMETRY DATA, Workflow, Scripting language, Metabolite networks, compound identification, lipidomics, FEATURE-SELECTION, DIFFERENTIAL NETWORK ANALYSIS, MISSING VALUE IMPUTATION, computer

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed781c2e114a56bf11a588d03c669cbdTest
https://push-zb.helmholtz-muenchen.de/frontdoor.php?source_opus=56962Test

المؤلفون: Lukas Käll, Reza M. Salek, Nico Jehmlich, Nuno Bandeira, Steffen Neumann, Bernhard Kuster, Johannes Griss, Hannes L. Röst, Stephen Tate, Johannes P. C. Vissers, Juan Antonio Vizcaíno, Henry H N Lam, Pierre-Alain Binz, Timo Sachsenberg, Mathias Walzer, Emma L. Schymanski, Mathias Wilhelm, Viktoria Dorfer, Ana Y. Wang, Dennis W. Wolan, Paul Wilmes, Bernard Delanghe, Eric W. Deutsch, Andrew W. Dowsey, Pieter-Jan Volders, Sebastian Böcker, Luis Mendoza, Robert J. Chalkley, Jim Shofstahl, Yasset Perez-Riverol

المصدر: Journal of proteome research, vol 17, iss 12

مصطلحات موضوعية: 0301 basic medicine, Proteomics, Biochemistry & Molecular Biology, formats, Computer science, media_common.quotation_subject, ENCODE, Biochemistry, Field (computer science), Article, Workflow, Proteomics Standards Initiative, Databases, 03 medical and health sciences, Peptide Library, Tandem Mass Spectrometry, Dagstuhl Seminar, spectral libraries, Animals, Humans, Quality (business), Data-independent acquisition, Databases, Protein, mass spectrometry, meeting report, media_common, Protein, General Chemistry, Biological Sciences, Data science, Metadata, 030104 developmental biology, ComputingMethodologies_PATTERNRECOGNITION, Chemical Sciences, standards

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e4e5e1f043ec1c37488c00f1e5e4de3dTest
https://pubmed.ncbi.nlm.nih.gov/30270626Test