Yannick Djoumbou-Feunang
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View article: BioTransformer 4.0 a comprehensive computational tool for small molecule metabolism prediction
BioTransformer 4.0 a comprehensive computational tool for small molecule metabolism prediction Open
BioTransformer 4.0, the successor to BioTransformer 3.0, is a freely available in silico metabolism prediction tool. It integrates both knowledge-based and machine learning approaches to predict metabolites for small molecules using one of…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: Cheminformatics and artificial intelligence for accelerating agrochemical discovery
Cheminformatics and artificial intelligence for accelerating agrochemical discovery Open
The global cost-benefit analysis of pesticide use during the last 30 years has been characterized by a significant increase during the period from 1990 to 2007 followed by a decline. This observation can be attributed to several factors in…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
<p>This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange.</p><p><a href="https://www.norman-network.com/nds/SLE/">https://www.…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange.\n\n\nhttps://www.norman-network.com/nds/SLE/\n\n\nThis dataset is extracted from the database b…
View article: ChemFOnt: the chemical functional ontology resource
ChemFOnt: the chemical functional ontology resource Open
The Chemical Functional Ontology (ChemFOnt), located at https://www.chemfont.ca, is a hierarchical, OWL-compatible ontology describing the functions and actions of >341 000 biologically important chemicals. These include primary metabol…
View article: The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry Open
Background The NORMAN Association ( https://www.norman-network.com/ ) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/ ) in 2015, following the NORMAN collaborative trial on non-target screeni…
View article: The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry
The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry Open
Background: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening…
View article: BioTransformer 3.0—a web server for accurately predicting metabolic transformation products
BioTransformer 3.0—a web server for accurately predicting metabolic transformation products Open
BioTransformer 3.0 (https://biotransformer.ca) is a freely available web server that supports accurate, rapid and comprehensive in silico metabolism prediction. It combines machine learning approaches with a rule-based system to predict sm…
View article: Additional file 5 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Additional file 5 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry Open
Additional file 5: Authorship contributions and acknowledgements mapped to NORMAN-SLE lists (XLSX format).
View article: Additional file 1 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Additional file 1 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry Open
Additional file 1: Summary of the NORMAN-SLE datasets (CSV format) as of 4 May 2022 [81].
View article: Additional file 4 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Additional file 4 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry Open
Additional file 4: Summary of Zenodo citations plus DOIs per list (CSV format) as of 1 May 2022 [236].
View article: Additional file 3 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Additional file 3 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry Open
Additional file 3: Summary of Zenodo view and download statistics, plus citations (CSV format) as of 28 April 2022 [235].
View article: Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop Open
We report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 …
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer Open
This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioT…
View article: Perspective: Dietary Biomarkers of Intake and Exposure - Exploration with Omics Approaches
Perspective: Dietary Biomarkers of Intake and Exposure - Exploration with Omics Approaches Open
While conventional nutrition research has yielded biomarkers such as doubly labeled water for energy metabolism and 24-h urinary nitrogen for protein intake, a critical need exists for additional, equally robust biomarkers that allow for o…
View article: Perspective: Dietary Biomarkers of Intake and Exposure—Exploration with Omics Approaches
Perspective: Dietary Biomarkers of Intake and Exposure—Exploration with Omics Approaches Open
View article: CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification
CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification Open
Metabolite identification for untargeted metabolomics is often hampered by the lack of experimentally collected reference spectra from tandem mass spectrometry (MS/MS). To circumvent this problem, Competitive Fragmentation Modeling-ID (CFM…
View article: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
View article: MOESM1 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM1 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 1. Cited structures.
View article: MOESM9 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM9 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 9. Epicatechin metabolites identification part 2.
View article: MOESM6 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM6 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 6. BioTransformer vs. ADMET Predictor.
View article: MOESM8 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM8 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 8. Epicatechin metabolites identification part 1.
View article: MOESM5 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM5 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 5. BioTransformerâ human and human gut microbial metabolism.
View article: MOESM7 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM7 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 7. Epicatechin metabolite identification tables.
View article: MOESM4 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
MOESM4 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification Open
Additional file 4. Predictions: BioTransformer vs. Meteor Nexus.