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Record W3088043031 · doi:10.1021/acs.analchem.0c03129

Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation

2020· article· en· W3088043031 on OpenAlexafffund
Nicolas Drouin, Marlien van Mever, Wei Zhang, Elena Tobolkina, Sabrina Ferré, Anne‐Catherine Servais, Marie‐Jia Gou, Laurent Nyssen, Marianne Fillet, Guinevere S. M. Lageveen‐Kammeijer, Jan Nouta, Andrew J. Chetwynd, Iseult Lynch, James A. Thorn, Jens Meixner, Christopher Lößner, Myriam Taverna, Sylvie Liu, Nguyet Thuy Tran, Yannis‐Nicolas François, Antony Lechner, Reine Nehmé, Ghassan Al Hamoui Dit Banni, Rouba Nasreddine, Cyril Colas, Herbert Lindner, Klaus Faserl, Christian Neusüß, Manuel Nelke, Stefan Lämmerer, Catherine Perrin, Claudia Bich, Coral Barbas, Ángeles López‐Gonzálvez, András Guttman, Márton Szigeti, Philip Britz‐McKibbin, Zachary Kroezen, Meera Shanmuganathan, Péter Nemes, Erika P. Portero, Thomas Hankemeier, Santiago Codesido, Víctor González‐Ruiz, Serge Rudaz, Rawi Ramautar

Bibliographic record

VenueAnalytical Chemistry · 2020
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsMcMaster University
FundersH2020 Marie Skłodowska-Curie ActionsNatural Sciences and Engineering Research Council of CanadaHorizon 2020 Framework ProgrammeMinisterio de Ciencia e InnovaciónNational Research, Development and Innovation OfficeCentre National de la Recherche ScientifiqueUniversité de StrasbourgComunidad de MadridAgence Nationale de la RechercheNederlandse Organisatie voor Wetenschappelijk OnderzoekEuropean Regional Development FundEuropean CommissionMinisterio de Ciencia, Innovación y UniversidadesGenome CanadaLabexNational Institutes of HealthSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungArnold and Mabel Beckman FoundationNational Science Foundation
KeywordsChemistryCapillary electrophoresisChromatographyCapillary electrophoresis–mass spectrometryReproducibilityMass spectrometryCapillary actionMetaboliteAnalytical Chemistry (journal)Electrospray ionizationBiochemistry

Abstract

fetched live from OpenAlex

for 20 out of the 21 model compounds was below 3.1% vs 10.9% for RMT, regardless of the huge heterogeneity in experimental conditions and platforms across the 13 laboratories. Overall, this Metabo-ring trial demonstrated that CE-MS is a viable and reproducible approach for metabolomics.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.009
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.013
GPT teacher head0.248
Teacher spread0.234 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations69
Published2020
Admission routes2
Has abstractyes

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