ArticleMethods in molecular biology (Clifton, N.J.)2020
Predictive Modeling for Metabolomics Data.
Article in Methods in molecular biology (Clifton, N.J.), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
30 citing papers in PubMed.
- Exercise and Sports Metabolomics: Analytical Platforms, Metabolite Annotation, Pathway-Level Interpretation, and Biomarker-Panel Readiness.Metabolites · 2026Review
- Multi-phase hybrid metabolomics framework identifies clinically applicable plasma signatures for early detection of gastric cancer.Nature communications · 2026Article
- Integrating Metabolomics and Machine Learning for Advanced Chemical Detection.Sensors (Basel, Switzerland) · 2026Review
- Bile and Serum Metabolomics in Living Donor Liver Transplantation: Exploratory Insights into Acute Rejection Biomarkers.Metabolites · 2026Article
- Untargeted metabolomics of mature sorghum [Frontiers in plant science · 2026Article
- Article
- Responses and adaptations of plants to abiotic stress: transcriptional regulation of secondary metabolic pathways, metabolomics, and nanobiological approaches.Frontiers in genetics · 2026Review
- Integrative multi-omics analysis identifies a robust 14-metabolite signature and reveals microbiome-metabolite-host interactions in atherosclerosis.Frontiers in cardiovascular medicine · 2026Article
- Sex Modifies Metabolic Pathways Associated with Lipids in Untargeted Metabolomics: The Coronary Artery Risk Development in Young Adults (CARDIA) Study, 2005-2006.Metabolites · 2025Article
- Body Mass Index Modifies Associations Between Diet Quality and Circulating Metabolites: The CARDIA Study, 2005 to 2006.Journal of the American Heart Association · 2025Article
- Administration Route Differentiation of Altrenogest via the Metabolomic LC-HRMS Analysis of Equine Urine.Molecules (Basel, Switzerland) · 2024Article
- Review
- Metabolomic profiling of dengue infection: unraveling molecular signatures by LC-MS/MS and machine learning models.Metabolomics : Official journal of the Metabolomic Society · 2024Article
- Multiple and Optimal Screening Subset: a method selecting global characteristic congeners for robust foodomics analysis.Briefings in bioinformatics · 2024Article
- Article
- Finding the best predictive model for hypertensive depression in older adults based on machine learning and metabolomics research.Frontiers in psychiatry · 2024Article
- Metabonomic analysis to identify exometabolome changes underlying antifungal and growth promotion mechanisms of endophytic ActinobacteriumFrontiers in microbiology · 2024Article
- Article
- Machine learning-based analysis of risk factors for chronic total occlusion in an Asian population.The Journal of international medical research · 2023Article
- New Diagnostic Modality Combining Mass Spectrometry and Machine Learning for the Discrimination of Malignant Intraductal Papillary Mucinous Neoplasms.Annals of surgical oncology · 2023Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
In recent years, mass spectrometry (MS)-based metabolomics has been extensively applied to characterize biochemical mechanisms, and study physiological processes and phenotypic changes associated with disease. Metabolomics has also been important for identifying biomarkers of interest suitable for clinical diagnosis. For the purpose of predictive modeling, in this chapter, we will review various supervised learning algorithms such as random forest (RF), support vector machine (SVM), and partial least squares-discriminant analysis (PLS-DA). In addition, we will also review feature selection methods for identifying the best combination of metabolites for an accurate predictive model. We conclude with best practices for reproducibility by including internal and external replication, reporting metrics to assess performance, and providing guidelines to avoid overfitting and to deal with imbalanced classes. An analysis of an example data will illustrate the use of different machine learning methods and performance metrics.
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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.