ArticleAnalytical chemistry2023
Unknown Metabolite Identification Using Machine Learning Collision Cross-Section Prediction and Tandem Mass Spectrometry.
Article in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
23 citing papers in PubMed.
- Identifying Food Packaging Migrants: Current Analytical Capabilities, Challenges, and Future Prospects.Comprehensive reviews in food science and food safety · 2026Review
- Ensemble learning on serum metabolic fingerprints for early detection of lung adenocarcinoma.NPJ precision oncology · 2026Article
- How to Use Quantum Chemistry for Analyzing Mass Spectrometry Data.Mass spectrometry (Tokyo, Japan) · 2026Review
- Productive chaos and precision engineering: decoupling discovery from manufacturing to revolutionize plant-inspired therapeutics.Frontiers in plant science · 2026Article
- Trapped Ion Mobility Improves Annotation Accuracy in LC-HRMS Screening Applications for Exposomics.Analytical chemistry · 2025Article
- Leveraging chemical synthesis to discover metabolites from the gut microbiome.Annals of the New York Academy of Sciences · 2025Review
- A Spatial Metabolomics Annotation Workflow Leveraging Cyclic Ion Mobility and Machine Learning-Predicted Collision Cross Sections.Journal of the American Society for Mass Spectrometry · 2025Article
- IMPACT-4CCS: Integrated Modeling and Prediction Using Ab Initio and Trained Potentials for Collision Cross Sections.Journal of computational chemistry · 2025Article
- Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening.Analytical and bioanalytical chemistry · 2025Review
- Association between human blood metabolome and risk of myocarditis: a mendelian randomization study.Scientific reports · 2024Article
- Recent Developments in Machine Learning for Mass Spectrometry.ACS measurement science au · 2024Review
- Offline Two-Dimensional Liquid Chromatography-Mass Spectrometry for Deep Annotation of the Fecal Metabolome Following Fecal Microbiota Transplantation.Journal of proteome research · 2024Article
- Predicting the Predicted: A Comparison of Machine Learning-Based Collision Cross-Section Prediction Models for Small Molecules.Analytical chemistry · 2024Article
- Computational tools and algorithms for ion mobility spectrometry-mass spectrometry.Proteomics · 2024Review
- Triboelectric Nanogenerators for the Masses: A Low-Cost Do-It-Yourself Pulsed Ion Source for Sample-Limited Applications.Journal of the American Society for Mass Spectrometry · 2024Article
- HILIC-IM-MS for Simultaneous Lipid and Metabolite Profiling of Bacteria.ACS measurement science au · 2024Article
- MOCCal: A Multiomic CCS Calibrator for Traveling Wave Ion Mobility Mass Spectrometry.Analytical chemistry · 2024Article
- Application of Ion Mobility Spectrometry and the Derived Collision Cross Section in the Analysis of Environmental Organic Micropollutants.Environmental science & technology · 2023Review
- Collision cross section measurement and prediction methods in omics.Journal of mass spectrometry : JMS · 2023Review
- Array-Based Machine Learning for Functional Group Detection in Electron Ionization Mass Spectrometry.ACS omega · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
10 authors.
Funding
Abstract
Ion mobility (IM) spectrometry provides semiorthogonal data to mass spectrometry (MS), showing promise for identifying unknown metabolites in complex non-targeted metabolomics data sets. While current literature has showcased IM-MS for identifying unknowns under near ideal circumstances, less work has been conducted to evaluate the performance of this approach in metabolomics studies involving highly complex samples with difficult matrices. Here, we present a workflow incorporating
Indexed as
Identifiers
What OpenQuestion holds
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.