ArticleMetabolites2019
MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools.
Article in Metabolites, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 191 papers.
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Who cites it
191 citing papers in PubMed, 374 citations in OpenAlex.
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- Large-scale discovery and annotation of substructure patterns in mass spectrometry profiles.Nature communications · 2026Article
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- Bioactivity-guided metabolomics reveals discriminant cytotoxic signatures in Siparuna guianensis.Metabolomics : Official journal of the Metabolomic Society · 2026Article
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- Extensive variation between chromosomes of North American and European hop.Nature communications · 2026Article
- Structural determination of natural products at speeds and scale of high-throughput screening.Natural product reports · 2026Review
- Chemical diversity and species differentiation in Brazilian Vanilla: insights from LC-HRMS/MS metabolomics.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Discovery of pyridomycin derivatives as InhA inhibitors from actinomycetes through molecular networking and an In-House tandem mass library.Natural products and bioprospecting · 2026Article
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- Productive chaos and precision engineering: decoupling discovery from manufacturing to revolutionize plant-inspired therapeutics.Frontiers in plant science · 2026Article
- Disrupted terminal bilirubin catabolism linksFrontiers in microbiology · 2026Article
- Spatially divergent metabolic impact of experimental toxoplasmosis: immunological and microbial correlates.mSystems · 2025Article
- Molecular Networking Reveals Antioxidant Properties and Phenolic Profiles of Four Rosaceae Seeds.Plants (Basel, Switzerland) · 2025Article
- Biodiscovery ofMicrobial genomics · 2025Article
- The Brazilian Caatinga Biome as a Hotspot for the Isolation of Antibiotic-ProducingLife (Basel, Switzerland) · 2025Article
- Knowledge and data-driven two-layer networking for accurate metabolite annotation in untargeted metabolomics.Nature communications · 2025Article
131 more citing papers are in PubMed but not listed here.
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Authors and funding
11 authors at 5 institutions in 5 countries.
Funding
Abstract
Metabolomics has started to embrace computational approaches for chemical interpretation of large data sets. Yet, metabolite annotation remains a key challenge. Recently, molecular networking and MS2LDA emerged as molecular mining tools that find molecular families and substructures in mass spectrometry fragmentation data. Moreover, in silico annotation tools obtain and rank candidate molecules for fragmentation spectra. Ideally, all structural information obtained and inferred from these computational tools could be combined to increase the resulting chemical insight one can obtain from a data set. However, integration is currently hampered as each tool has its own output format and efficient matching of data across these tools is lacking. Here, we introduce MolNetEnhancer, a workflow that combines the outputs from molecular networking, MS2LDA, in silico annotation tools (such as Network Annotation Propagation or DEREPLICATOR), and the automated chemical classification through ClassyFire to provide a more comprehensive chemical overview of metabolomics data whilst at the same time illuminating structural details for each fragmentation spectrum. We present examples from four plant and bacterial case studies and show how MolNetEnhancer enables the chemical annotation, visualization, and discovery of the subtle substructural diversity within molecular families. We conclude that MolNetEnhancer is a useful tool that greatly assists the metabolomics researcher in deciphering the metabolome through combination of multiple independent in silico pipelines.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.