The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

scientific article published on 21 October 2022

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1186/S12302-022-00680-6

P50authorAntony John WilliamsQ4777220
Egon WillighagenQ20895241
Emma L. SchymanskiQ27863244
Roel C H VermeulenQ87253566
Martin ScheringerQ87622147
Thorsten ReemtsmaQ87825787
Heinz RüdelQ88334048
Thomas LetzelQ88390714
Jaqueline A PicacheQ89935081
Jane MunckeQ89980685
Sònia TorresQ90004229
Carla MerinoQ90004231
Alberto CelmaQ90056027
Xenia TrierQ91694254
Frank MengerQ92253856
David M LunderbergQ92626666
Pertti J HakkinenQ95984618
David WishartQ27887604
Evan E. BoltonQ28194918
Reza M. SalekQ29406339
Qingliang LiQ30159110
Annemarie P van WezelQ37829242
Hans Peter H ArpQ39508124
Peter Carsten von der OheQ96431305
Justin B RenaudQ98576472
Jaroslav SlobodnikQ99268384
Martin KraussQ108540708
Jan KoschorreckQ114340917
Sylvia GrosseQ117233373
Manfred SenglQ117233374
Kevin V. ThomasQ39824130
Cristina PostigoQ40028033
Marja H LamoreeQ40110175
Pablo Gago-FerreroQ40177929
Nikolaos S. ThomaidisQ41161336
Saer SamanipourQ41702068
Jonathan W. MartinQ42682954
Heinz SingerQ42850572
Juliane HollenderQ42850575
Peter HaglundQ43348250
Tobias SchulzeQ43370336
Andrew D McEachranQ43837665
Mark W. SumarahQ44607781
Herbert OberacherQ45409259
Werner BrackQ46116968
Elisabeth M-L JanssenQ46197045
Félix HernándezQ58310246
Noelia RamirezQ59518766
Lubertus BijlsmaQ59659713
Wen-Ling ChenQ61630260
Yannick Djoumbou FeunangQ63351119
Matthias MuschketQ63352555
Benjamin A ShoemakerQ82282831
Paul A ThiessenQ82282835
Jian ZhangQ82282851
Vanessa NeveuQ82286157
Lisa A D'AgostinoQ82329967
Juliane GlügeQ85678996
Yanna LiuQ86216926
Randolph R SinghQ86657609
John A. McLeanQ47153110
Ksenia J. GrohQ47192715
Jake O'BrienQ48355951
Pawel RostkowskiQ51069826
Sarah E. HaleQ51704445
Reza AalizadehQ52278299
Richard BadeQ53128882
Nikiforos AlygizakisQ55816113
Nancy BakerQ56395059
Valeria DulioQ57164303
Jean-Philippe AntignacQ57265650
Tiejun ChengQ57415846
Zhanyun WangQ57599251
P2093author name stringMichael Neumann
Wolfgang Schulz
Marion Letzel
Birgit Geueke
Stellan Fischer
Peter Oswald
Aikaterini Galani
Martina Oswaldova
Jeroen Meijer
Kerry Sims
James Little
Ivo Schliebner
Karin Kiefer
Christiane Meier
Lidia Belova
Hiba Mohammed Taha
Jelle J. Vlaanderen
Jessy Krier
Kelsey Ng
Ľuboš Čirka
Michal Kirchner
Natalia Głowacka
Parviel Chirsir
Tim Jonkers
P2860cites workInChI - the worldwide chemical structure identifier standardQ21030547
Open Babel: An open chemical toolboxQ21198766
MetFrag relaunched: incorporating strategies beyond in silico fragmentationQ27702197
Automatic recalibration and processing of tandem mass spectra using formula annotationQ27807487
MassBank: a public repository for sharing mass spectral data for life sciencesQ27809667
Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross SectionsQ89873696
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identificationQ90905703
The impact of on-site hospital wastewater treatment on the downstream communal wastewater system in terms of antibiotics and antibiotic resistance genesQ91428367
Chemical and bioassay assessment of waters related to hydraulic fracturing at a tight gas production siteQ91847885
Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challengesQ91881378
Linking in silico MS/MS spectra with chemistry data to improve identification of unknownsQ92377071
Hexamethoxymethylmelamine - A precursor of persistent and mobile contaminants in municipal wastewater and the water cycleQ92729118
Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFragQ92827933
Integrating Exposure Knowledge and Serum Suspect Screening as a New Approach to Biomonitoring: An Application in Firefighters and Office WorkersQ92871261
New relevant pesticide transformation products in groundwater detected using target and suspect screening for agricultural and urban micropollutants with LC-HRMSQ92872174
Characterization of wastewater effluents in the Danube River Basin with chemical screening, in vitro bioassays and antibiotic resistant genes analysisQ92931804
Suspect and non-targeted screening of chemicals of emerging concern for human biomonitoring, environmental health studies and support to risk assessment: From promises to challenges and harmonisation issuesQ94494338
Contribution of Organofluorine Compounds to PharmaceuticalsQ95819988
The FAIR Guiding Principles for scientific data management and stewardshipQ27942822
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
ZINC 15--Ligand Discovery for EveryoneQ28607096
ChemSpider: An Online Chemical Information ResourceQ28842739
Open Science for Identifying “Known Unknown” ChemicalsQ29791112
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingQ30149558
The SOLUTIONS project: challenges and responses for present and future emerging pollutants in land and water resources managementQ30317261
Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol contentQ30672178
LC-MS screening techniques for wastewater analysis and analytical data handling strategies: Sartans and their transformation products as an exampleQ30985393
Data-driven prioritization of chemicals for various water types using suspect screening LC-HRMS.Q31049662
MODELKEY. Models for assessing and forecasting the impact of environmental key pollutants on freshwater and marine ecosystems and biodiversityQ33224629
Phenol-Explorer: an online comprehensive database on polyphenol contents in foodsQ33815619
Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animalsQ34373655
Suspect screening of large numbers of emerging contaminants in environmental waters using artificial neural networks for chromatographic retention time prediction and high resolution mass spectrometry data analysis.Q35771654
Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS.Q35791860
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysisQ38481468
Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR modelsQ38943960
Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factorsQ39125725
Current Contributions of Organofluorine Compounds to the Agrochemical IndustryQ99201101
Wide-scope screening for pharmaceutically active substances in a leafy vegetable cultivated under biogas slurry irrigationQ99622181
Chemicals of concern in plastic toysQ101049843
An overview of the uses of per- and polyfluoroalkyl substances (PFAS)Q101125804
PubChem in 2021: new data content and improved web interfacesQ101339902
Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility SeparationQ102150620
Overview of intentionally used food contact chemicals and their hazardsQ104062921
Towards 'one substance - one assessment': An analysis of EU chemical registration and aquatic risk assessment frameworksQ104134409
Target, Nontarget, and Suspect Screening and Temporal Trends of Per- and Polyfluoroalkyl Substances in Marine Mammals from the South China SeaQ104741270
The NORMAN Association and the European Partnership for Chemicals Risk Assessment (PARC): let’s cooperate!Q105264588
Establish data infrastructure to compile and exchange environmental screening data on a European scaleQ105264605
Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFragQ105826208
CyanoMetDB, a comprehensive public database of secondary metabolites from cyanobacteriaQ106714802
FAIR chemical structures in the Journal of CheminformaticsQ107438243
HERMES: a molecular-formula-oriented method to target the metabolomeQ110391824
FAIR-ifying the Exposome Journal: Templates for Chemical Structures and TransformationsQ110393655
Elevated levels of per- and polyfluoroalkyl substances (PFAS) in freshwater benthic macroinvertebrates from the Hudson River WatershedQ110531863
Filling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC- and HILIC-HRMS in two German river systemsQ110743883
An annotation database for chemicals of emerging concern in exposome researchQ111804069
PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem DataQ114752425
A Multi-Label Classifier for Predicting the Most Appropriate Instrumental Method for the Analysis of Contaminants of Emerging ConcernQ114864453
Dynamics of the Metabolome of Aliinostoc sp. PMC 882.14 in Response to Light and Temperature VariationsQ114865777
Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget ScreeningQ114869233
TrendProbe: Time profile analysis of emerging contaminants by LC-HRMS non-target screening and deep learning convolutional neural networkQ114950718
The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)Q115715489
Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approachesQ125741439
LC-high resolution MS in environmental analysis: from target screening to the identification of unknownsQ39891412
Rapid Screening for Exposure to "Non-Target" Pharmaceuticals from Wastewater Effluents by Combining HRMS-Based Suspect Screening and Exposure ModelingQ39951288
Reflection of Socioeconomic Changes in Wastewater: Licit and Illicit Drug Use PatternsQ40609342
The CompTox Chemistry Dashboard: a community data resource for environmental chemistryQ44040193
Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometryQ44299883
Metabolic products and pathways of fluorotelomer alcohols in isolated rat hepatocytesQ46648691
Occurrence and spatial distribution of 158 pharmaceuticals, drugs of abuse and related metabolites in offshore seawaterQ59279287
Overview of known plastic packaging-associated chemicals and their hazardsQ61438968
The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniquesQ64066001
FAIRsharing as a community approach to standards, repositories and policiesQ64084285
Collision cross section compendium to annotate and predict multi-omic compound identities.Q64930918
NORMAN digital sample freezing platform: A European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in “digitally frozen” environmental samplesQ81825151
Exposome-Explorer 2.0: an update incorporating candidate dietary biomarkers and dietary associations with cancer riskQ84136383
Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go?Q47709709
Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation ProductsQ47927681
Alleviating the reference standard dilemma using a systematic exact mass suspect screening approach with liquid chromatography-high resolution mass spectrometryQ47964405
Suspect Screening Analysis of Chemicals in Consumer Products.Q50060517
Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating ConfidenceQ52278017
Emerging pollutants in the EU: 10 years of NORMAN in support of environmental policies and regulations.Q52641403
“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studiesQ56392431
Comprehensive Toxic Plants-Phytotoxins Database and Its Application in Assessing Aquatic Micropollution PotentialQ56654744
Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass SpectrometryQ56986687
Prioritizing anthropogenic chemicals in drinking water and sources through combined use of mass spectrometry and ToxCast toxicity dataQ58121299
P433issue1
P407language of work or nameEnglishQ1860
P577publication date2022-10-21
P1433published inEnvironmental Sciences EuropeQ16856226
P1476titleThe NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
P478volume34

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Q115695014An algorithm to classify homologous series within compound datasetscites workP2860

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