ArticleScientific reports2018
Comparative Evaluation of MS-based Metabolomics Software and Its Application to Preclinical Alzheimer's Disease.
Article in Scientific reports, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers, 1 of them a synthesis that pooled it.
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
38 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Evaluating LC-HRMS metabolomics data processing software using FAIR principles for research software.Metabolomics : Official journal of the Metabolomic Society · 2023Pooled it
- Unravelling the phytochemical complexity of neuroprotective plants: a metabolomics approach to Alzheimer's disease.Molecular biology reports · 2026Review
- Pseudoenhanced Peak Efficiency in Liquid Chromatography-High Resolution Mass Spectrometry Using Multiple Second Derivatives.Journal of the American Society for Mass Spectrometry · 2026Article
- Review
- Combined mesenchymal stem cells and metformin therapy modulates key macromolecular pathways in pulmonary fibrosis based on evidence from untargeted metabolomics.Scientific reports · 2026Article
- Environmental factors influencing hormone receptor positive breast cancer incidence: integrating chemical signatures from dust wipes with self-reported sources of exposure.Journal of exposure science & environmental epidemiology · 2026Article
- A stochastic approach for parameter optimization of feature detection algorithms for non-target screening in mass spectrometry.Analytical and bioanalytical chemistry · 2025Article
- Unraveling non-target screening variability for LC-HRMS data: a chemometric comparative analysis of river water samples impacted by treated wastewater.Analytical and bioanalytical chemistry · 2025Article
- Metabolomic analysis reveals key changes in amino acid metabolism in colorectal cancer patients.Amino acids · 2025Article
- Comparison of Deep Learning and Traditional Machine Learning Models for Predicting Mild Cognitive Impairment Using Plasma Proteomic Biomarkers.International journal of molecular sciences · 2025Article
- Application of Metabolomics in Carcinogenesis and Cancer Prevention by Dietary Phytochemicals.Current pharmacology reports · 2025Review
- Biological characteristics of pregnancy in captive Yangtze finless porpoises revealed by urinary metabolomics†.Biology of reproduction · 2024Article
- Investigating metabolic dysregulation in serum of triple transgenic Alzheimer's disease male mice: implications for pathogenesis and potential biomarkers.Amino acids · 2024Article
- Protective signature of xanthohumol on cognitive function of APP/PS1 mice: a urine metabolomics approach by age.Frontiers in pharmacology · 2024Article
- Surface Active Salivary Metabolites Indicate Oxidative Stress and Inflammation in Obstructive Sleep Apnea.Allergy, asthma & immunology research · 2023Article
- Untargeted Metabolomics to Characterize the Urinary Chemical Landscape of E-Cigarette Users.Chemical research in toxicology · 2023Article
- Status of Metabolomic Measurement for Insights in Alzheimer's Disease Progression-What Is Missing?International journal of molecular sciences · 2023Review
- Simple In VitroInternational journal of molecular sciences · 2023Article
- Alignment and Analysis of a Disparately Acquired Multibatch Metabolomics Study of Maternal Pregnancy Samples.Journal of proteome research · 2022Article
- Metabolomics as a Crucial Tool to Develop New Therapeutic Strategies for Neurodegenerative Diseases.Metabolites · 2022Review
Corrections and comments
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Authors and funding
8 authors.
Funding
Abstract
Mass spectrometry-based metabolomics has undergone significant progresses in the past decade, with a variety of software packages being developed for data analysis. However, systematic comparison of different metabolomics software tools has rarely been conducted. In this study, several representative software packages were comparatively evaluated throughout the entire pipeline of metabolomics data analysis, including data processing, statistical analysis, feature selection, metabolite identification, pathway analysis, and classification model construction. LC-MS-based metabolomics was applied to preclinical Alzheimer's disease (AD) using a small cohort of human cerebrospinal fluid (CSF) samples (N = 30). All three software packages, XCMS Online, SIEVE, and Compound Discoverer, provided consistent and reproducible data processing results. A hybrid method combining statistical test and support vector machine feature selection was employed to screen key metabolites, achieving a complementary selection of candidate biomarkers from three software packages. Machine learning classification using candidate biomarkers generated highly accurate and predictive models to classify patients into preclinical AD or control category. Overall, our study demonstrated a systematic evaluation of different MS-based metabolomics software packages for the entire data analysis pipeline which was applied to the candidate biomarker discovery of preclinical AD.
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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.