Probabilistic metabolite annotation using retention time prediction and meta-learned projections

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Location: Deutsche Nationalbibliothek Frankfurt am Main

ISSN: 1758-2946

Extent: Online-Ressource

Language: Englisch

Notes: online resource.

Bibliographic citation: Probabilistic metabolite annotation using retention time prediction and meta-learned projections ; volume:14 ; number:1 ; day:7 ; month:6 ; year:2022 ; pages:1-23 ; date:12.2022
Journal of cheminformatics ; 14, Heft 1 (7.6.2022), 1-23, 12.2022

Classification: Informatik

Creator: García Martínez, Constantino Antonio
Gil-de-la-Fuente, Alberto
Barbas, Coral
Otero, Abraham

Contributor: SpringerLink (Online service)

DOI: 10.1186/s13321-022-00613-8

URN: urn:nbn:de:101:1-2022080421120909384848

Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 15.08.2025, 7:26 AM CEST

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García Martínez, Constantino Antonio
Gil-de-la-Fuente, Alberto
Barbas, Coral
Otero, Abraham
SpringerLink (Online service)

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Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

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Confident metabolite structure annotation with COSMIC

Current status of retention time prediction in metabolite identification

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Orbital Frontal Cortex Projections to Secondary Motor Cortex Mediate Exploitation of Learned Rules

The role of reporting standards for metabolite annotation and identification in metabolomic studies

AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

MetaboShiny: interactive analysis and metabolite annotation of mass spectrometry-based metabolomics data

METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Advancing Metabolomics in Caenorhabditis elegans - Exploring Innovative Approaches for Metabolite Analysis and Annotation

Bildwerke / Bildende Kunst | Video

Projections

Confident metabolite structure annotation with COSMIC

Current status of retention time prediction in metabolite identification

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Orbital Frontal Cortex Projections to Secondary Motor Cortex Mediate Exploitation of Learned Rules

The role of reporting standards for metabolite annotation and identification in metabolomic studies

AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

MetaboShiny: interactive analysis and metabolite annotation of mass spectrometry-based metabolomics data

METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Advancing Metabolomics in Caenorhabditis elegans - Exploring Innovative Approaches for Metabolite Analysis and Annotation

Bildwerke / Bildende Kunst | Video

Projections

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Probabilistic metabolite annotation using retention time prediction and meta-learned projections

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Other Objects (12)

Confident metabolite structure annotation with COSMIC

Current status of retention time prediction in metabolite identification

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Orbital Frontal Cortex Projections to Secondary Motor Cortex Mediate Exploitation of Learned Rules

The role of reporting standards for metabolite annotation and identification in metabolomic studies

AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

MetaboShiny: interactive analysis and metabolite annotation of mass spectrometry-based metabolomics data

METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Advancing Metabolomics in Caenorhabditis elegans - Exploring Innovative Approaches for Metabolite Analysis and Annotation

Projections

Confident metabolite structure annotation with COSMIC

Current status of retention time prediction in metabolite identification

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Orbital Frontal Cortex Projections to Secondary Motor Cortex Mediate Exploitation of Learned Rules

The role of reporting standards for metabolite annotation and identification in metabolomic studies

AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

MetaboShiny: interactive analysis and metabolite annotation of mass spectrometry-based metabolomics data

METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Advancing Metabolomics in Caenorhabditis elegans - Exploring Innovative Approaches for Metabolite Analysis and Annotation

Projections

Confident metabolite structure annotation with COSMIC

Current status of retention time prediction in metabolite identification

Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics

Orbital Frontal Cortex Projections to Secondary Motor Cortex Mediate Exploitation of Learned Rules

The role of reporting standards for metabolite annotation and identification in metabolomic studies

AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

MetaboShiny: interactive analysis and metabolite annotation of mass spectrometry-based metabolomics data

METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning

Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Advancing Metabolomics in Caenorhabditis elegans - Exploring Innovative Approaches for Metabolite Analysis and Annotation

Projections

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