ArticleJournal of the American Society for Mass Spectrometry2019
Perspectives on Data Analysis in Metabolomics: Points of Agreement and Disagreement from the 2018 ASMS Fall Workshop.
Article in Journal of the American Society for Mass Spectrometry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
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Who cites it
13 citing papers in PubMed.
- Daily Vinegar Ingestion Improves Depression and Enhances Niacin Metabolism in Overweight Adults: A Randomized Controlled Trial.Nutrients · 2024Trial
- Review
- Data-Driven Compound Identification in Atmospheric Mass Spectrometry.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- First Trimester Prediction of Preterm Birth in Patient Plasma with Machine-Learning-Guided Raman Spectroscopy and Metabolomics.ACS applied materials & interfaces · 2023Article
- PeakDetective: A Semisupervised Deep Learning-Based Approach for Peak Curation in Untargeted Metabolomics.Analytical chemistry · 2023Article
- Power of mzRAPP-Based Performance Assessments in MS1-Based Nontargeted Feature Detection.Analytical chemistry · 2022Article
- Metabolomics reveal alterations in arachidonic acid metabolism in Schistosoma mekongi after exposure to praziquantel.PLoS neglected tropical diseases · 2021Article
- DecoID improves identification rates in metabolomics through database-assisted MS/MS deconvolution.Nature methods · 2021Article
- Areas of Metabolomic Exploration for Helminth Infections.ACS infectious diseases · 2021Article
- Recurrent Topics in Mass Spectrometry-Based Metabolomics and Lipidomics-Standardization, Coverage, and Throughput.Analytical chemistry · 2021Review
- Chemical Class Prediction of Unknown Biomolecules Using Ion Mobility-Mass Spectrometry and Machine Learning: Supervised Inference of Feature Taxonomy from Ensemble Randomization.Analytical chemistry · 2020Article
- Mining for Peaks in LC-HRMS Datasets Using Finnee - A Case Study with Exhaled Breath Condensates from Healthy, Asthmatic, and COPD Patients.ACS omega · 2020Article
- Crowd-Sourced Chemistry: Considerations for Building a Standardized Database to Improve Omic Analyses.ACS omega · 2020Review
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
In November 2018, the American Society for Mass Spectrometry hosted the Annual Fall Workshop on informatic methods in metabolomics. The Workshop included sixteen lectures presented by twelve invited speakers. The focus of the talks was untargeted metabolomics performed with liquid chromatography/mass spectrometry. In this review, we highlight five recurring topics that were covered by multiple presenters: (i) data sharing, (ii) artifacts and contaminants, (iii) feature degeneracy, (iv) database organization, and (v) requirements for metabolite identification. Our objective here is to present viewpoints that were widely shared among participants, as well as those in which varying opinions were articulated. We note that most of the presenting speakers employed different data processing software, which underscores the diversity of informatic programs currently being used in metabolomics. We conclude with our thoughts on the potential role of reference datasets as a step towards standardizing data processing methods in metabolomics.
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Registered trials
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