AIMC Topic: Metabolomics

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GeneSCF: a real-time based functional enrichment tool with support for multiple organisms.

BMC bioinformatics Sep 13, 2016
BACKGROUND: High-throughput technologies such as ChIP-sequencing, RNA-sequencing, DNA sequencing and quantitative metabolomics generate a huge volume of data. Researchers often rely on functional enrichment tools to interpret the biological significa...
Databases, Factual Sequence Analysis, RNA Sequence Analysis, DNA Metabolomics Gene Ontology Humans
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Revealing disease-associated pathways by network integration of untargeted metabolomics.

Nature methods Aug 1, 2016
Uncovering the molecular context of dysregulated metabolites is crucial to understand pathogenic pathways. However, their system-level analysis has been limited owing to challenges in global metabolite identification. Most metabolite features detecte...
Humans Steroids Metabolomics Databases, Protein Neural Networks, Computer Machine Learning Algorithms Sphingolipids Huntington Disease Metabolic Networks and Pathways Fatty Acids
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Drug target identification using network analysis: Taking active components in Sini decoction as an example.

Scientific reports Apr 20, 2016
Identifying the molecular targets for the beneficial effects of active small-molecule compounds simultaneously is an important and currently unmet challenge. In this study, we firstly proposed network analysis by integrating data from network pharmac...
Drugs, Chinese Herbal Myocytes, Cardiac Structure-Activity Relationship Metabolic Networks and Pathways Reproducibility of Results Cell Line, Tumor Signal Transduction Metabolomics Humans Proteins Neural Networks, Computer Tumor Necrosis Factor-alpha
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A Systematic Strategy for Screening and Application of Specific Biomarkers in Hepatotoxicity Using Metabolomics Combined With ROC Curves and SVMs.

Toxicological sciences : an official journal of the Society of Toxicology Jan 18, 2016
Current studies that evaluate toxicity based on metabolomics have primarily focused on the screening of biomarkers while largely neglecting further verification and biomarker applications. For this reason, we used drug-induced hepatotoxicity as an ex...
Atorvastatin Chemical and Drug Induced Liver Injury Support Vector Machine Male Metabolomics Biomarkers Chromatography, High Pressure Liquid ROC Curve Liver Sensitivity and Specificity Carbon Tetrachloride Rats, Wistar Animals Acetaminophen
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Illuminating the dark matter in metabolomics.

Proceedings of the National Academy of Sciences of the United States of America Oct 1, 2015
Animals Mass Spectrometry Metabolomics Databases, Protein Humans Machine Learning
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Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

Proceedings of the National Academy of Sciences of the United States of America Sep 21, 2015
Metabolites provide a direct functional signature of cellular state. Untargeted metabolomics experiments usually rely on tandem MS to identify the thousands of compounds in a biological sample. Today, the vast majority of metabolites remain unknown. ...
Databases, Protein Mass Spectrometry Humans Metabolomics Machine Learning Animals
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Prediction of Anti-inflammatory Plants and Discovery of Their Biomarkers by Machine Learning Algorithms and Metabolomic Studies.

Planta medica Jan 23, 2015
Nonsteroidal anti-inflammatory drugs are the most used anti-inflammatory medicines in the world. Side effects still occur, however, and some inflammatory pathologies lack efficient treatment. Cyclooxygenase and lipoxygenase pathways are of utmost imp...
Biomarkers Mass Spectrometry Metabolomics Machine Learning Algorithms Anti-Inflammatory Agents Chromatography, High Pressure Liquid Plants, Medicinal
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Adduct-Induced Variability in Tandem Mass Spectrometry.

Analytical chemistry Aug 12, 2025
Tandem mass spectrometry (MS/MS) provides essential structural information and plays a central role in compound annotation in metabolomics. While different precursor ion types are expected to influence the generation of MS/MS spectra, systematic inve...
Metabolomics Tandem Mass Spectrometry
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Integrated multi-omics reveals the impact of ruminal keystone bacteria and microbial metabolites on average daily gain in Xuzhou cattle.

Microbiology spectrum Aug 5, 2025
UNLABELLED: The rumen microbiome plays a crucial role in determining the metabolic and digestive efficiency of livestock. Despite its crucial role, the impact of the rumen microbiome on average daily gain (ADG) in Xuzhou cattle remains underexplored....
Cattle Bacteria Multiomics Animals China Rumen Gastrointestinal Microbiome Metabolomics Metagenomics
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Single-cell omics: moving towards a new era in ischemic stroke research.

European journal of pharmacology Aug 5, 2025
Ischemic stroke (IS) is a highly complex and heterogeneous disease involving multiple pathophysiological events. A better understanding of the pathophysiology of IS will enhance preventive, diagnostic and therapeutic strategies. Despite significant a...
Single-Cell Analysis Proteomics Biomarkers Humans Genomics Metabolomics Machine Learning Precision Medicine Ischemic Stroke Animals
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