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Record W4391543451 · doi:10.1038/s41564-023-01575-9

microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data

2024· article· en· W4391543451 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

fundA Canadian funder is recorded on the work.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueNature Microbiology · 2024
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsnot available
FundersNational Institute of Arthritis and Musculoskeletal and Skin DiseasesNational Institute of Diabetes and Digestive and Kidney DiseasesNational Institute of Allergy and Infectious DiseasesNational Center for Complementary and Integrative HealthNational Institute on AgingBiotechnology and Biological Sciences Research CouncilAgricultural Research ServiceNational Institutes of HealthJunta de AndalucíaNovo Nordisk FondenNorges ForskningsrådUniversidad de Costa RicaInstituto Tecnológico y de Estudios Superiores de MonterreyFundação de Amparo à Pesquisa do Estado do AmazonasMinisterio de Ciencia e InnovaciónFord FoundationNational Research Foundation of KoreaConselho Nacional de Desenvolvimento Científico e TecnológicoNederlandse Organisatie voor Wetenschappelijk OnderzoekConsejo Nacional de Ciencia y TecnologíaNational Research FoundationAustrian Science FundDeutsche ForschungsgemeinschaftFundação de Apoio ao Desenvolvimento do Ensino, Ciência e Tecnologia do Estado de Mato Grosso do SulEidgenössische Technische Hochschule ZürichFundação de Amparo à Pesquisa do Estado de São PauloNational Institute of General Medical SciencesFrancis Crick InstituteUniversidad de MálagaNational Academies of Sciences, Engineering, and MedicineU.S. National Library of MedicineCanadian Institute for Advanced ResearchGordon and Betty Moore FoundationMinistry of Science and ICT, South KoreaNovo NordiskDeutsches Zentrum für InfektionsforschungMax-Planck-GesellschaftSimons FoundationHoward Hughes Medical InstituteU.S. Department of AgricultureNational Science FoundationSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungU.S. Department of Health and Human Services
KeywordsMetabolomicsComputational biologyMass spectrometryBiologyChemistryBioinformaticsChromatography

Abstract

fetched live from OpenAlex

microbeMASST, a taxonomically informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbe-derived metabolites and relative producers without a priori knowledge will vastly enhance the understanding of microorganisms' role in ecology and human health.

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.

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)0.001
metaresearch head score (Gemma)0.000
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.568
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 science0.0010.001
Research integrity0.0010.001
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 head0.016
GPT teacher head0.290
Teacher spread0.274 · 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