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Record W4388966674 · doi:10.21577/1984-6835.20230066

Análise de Dados de Metabolômica em Produtos Naturais: uma Revisão-Tutorial

2023· article· pt· W4388966674 on OpenAlexaff
Naydja Moralles Maimone, Alana K. Pereira, Leila Gimenes, Hocelayne Paulino Fernandes, Taícia Pacheco Fill, Ricardo M. Borges, Simone Possedente de Lira, João Batista Fernandes, Anelize Bauermeister

Bibliographic record

VenueRevista Virtual de Química · 2023
Typearticle
Languagept
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsSimon Fraser University
FundersNational Institute of Standards and TechnologyNational Institutes of Health
KeywordsComputer scienceData scienceContext (archaeology)VisualizationAnnotationBiological dataData miningArtificial intelligenceBioinformaticsBiology

Abstract

fetched live from OpenAlex

The incredible natural diversity that we can admire at different ecosystems is a result of genetic combinations along with complex metabolic reactions.For centuries, mankind has learned from nature and used its resources to improve the quality of our life.Therefore, the better understanding of the metabolites hole in living organisms' metabolism and/or in ecological interactions represent a potential strategy to streamline several processes under investigation, such as drug development.In this context, metabolomics has emerged as an indispensable tool to analyze the metabolites in biological systems through spectral information.Metabolomics has been applied to answer biological questions of increasing complexity, which demands robust methodologies to assure reproducibility and reliability in the results presented to the scientific community.Hence, this tutorial-review covers a step-by-step guide for metabolomics analysis, including free available tools.Data acquisition and the main steps of data processing are presented, and we also address commonly applied statistical analysis and data visualization approaches that can improve the comprehension and interpretation of complex datasets.In addition, we discuss some annotation tools and bring up good practices and how to apply them.This work provides background on resources and concepts needed from all the researchers interested in this topic.

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)0.002
metaresearch head score (Gemma)0.003
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.805
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.003
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
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 head0.013
GPT teacher head0.280
Teacher spread0.267 · 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 designNot applicable
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

Citations1
Published2023
Admission routes1
Has abstractyes

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