These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
386 related articles for article (PubMed ID: 33085002)
1. MetaClean: a machine learning-based classifier for reduced false positive peak detection in untargeted LC-MS metabolomics data. Chetnik K; Petrick L; Pandey G Metabolomics; 2020 Oct; 16(11):117. PubMed ID: 33085002 [TBL] [Abstract][Full Text] [Related]
2. Automated optimization of XCMS parameters for improved peak picking of liquid chromatography-mass spectrometry data using the coefficient of variation and parameter sweeping for untargeted metabolomics. Manier SK; Keller A; Meyer MR Drug Test Anal; 2019 Jun; 11(6):752-761. PubMed ID: 30479047 [TBL] [Abstract][Full Text] [Related]
3. Comparison of peak-picking workflows for untargeted liquid chromatography/high-resolution mass spectrometry metabolomics data analysis. Rafiei A; Sleno L Rapid Commun Mass Spectrom; 2015 Jan; 29(1):119-27. PubMed ID: 25462372 [TBL] [Abstract][Full Text] [Related]
5. Assessment of XCMS Optimization Methods with Machine-Learning Performance. Lassen J; Nielsen KL; Johannsen M; Villesen P Anal Chem; 2021 Oct; 93(40):13459-13466. PubMed ID: 34585906 [TBL] [Abstract][Full Text] [Related]
6. IDSL.IPA Characterizes the Organic Chemical Space in Untargeted LC/HRMS Data Sets. Fakouri Baygi S; Kumar Y; Barupal DK J Proteome Res; 2022 Jun; 21(6):1485-1494. PubMed ID: 35579321 [TBL] [Abstract][Full Text] [Related]
7. PeakDetective: A Semisupervised Deep Learning-Based Approach for Peak Curation in Untargeted Metabolomics. Stancliffe E; Patti GJ Anal Chem; 2023 Jun; 95(25):9397-9403. PubMed ID: 37314824 [TBL] [Abstract][Full Text] [Related]
8. Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples. Broeckling CD; Beger RD; Cheng LL; Cumeras R; Cuthbertson DJ; Dasari S; Davis WC; Dunn WB; Evans AM; Fernández-Ochoa A; Gika H; Goodacre R; Goodman KD; Gouveia GJ; Hsu PC; Kirwan JA; Kodra D; Kuligowski J; Lan RS; Monge ME; Moussa LW; Nair SG; Reisdorph N; Sherrod SD; Ulmer Holland C; Vuckovic D; Yu LR; Zhang B; Theodoridis G; Mosley JD Anal Chem; 2023 Dec; 95(51):18645-18654. PubMed ID: 38055671 [TBL] [Abstract][Full Text] [Related]
9. Retip: Retention Time Prediction for Compound Annotation in Untargeted Metabolomics. Bonini P; Kind T; Tsugawa H; Barupal DK; Fiehn O Anal Chem; 2020 Jun; 92(11):7515-7522. PubMed ID: 32390414 [TBL] [Abstract][Full Text] [Related]
10. Mass Spectral Feature List Optimizer (MS-FLO): A Tool To Minimize False Positive Peak Reports in Untargeted Liquid Chromatography-Mass Spectroscopy (LC-MS) Data Processing. DeFelice BC; Mehta SS; Samra S; Čajka T; Wancewicz B; Fahrmann JF; Fiehn O Anal Chem; 2017 Mar; 89(6):3250-3255. PubMed ID: 28225594 [TBL] [Abstract][Full Text] [Related]
11. MET-COFEA: a liquid chromatography/mass spectrometry data processing platform for metabolite compound feature extraction and annotation. Zhang W; Chang J; Lei Z; Huhman D; Sumner LW; Zhao PX Anal Chem; 2014 Jul; 86(13):6245-53. PubMed ID: 24856452 [TBL] [Abstract][Full Text] [Related]
12. IPO: a tool for automated optimization of XCMS parameters. Libiseller G; Dvorzak M; Kleb U; Gander E; Eisenberg T; Madeo F; Neumann S; Trausinger G; Sinner F; Pieber T; Magnes C BMC Bioinformatics; 2015 Apr; 16():118. PubMed ID: 25888443 [TBL] [Abstract][Full Text] [Related]
13. Improving peak detection in high-resolution LC/MS metabolomics data using preexisting knowledge and machine learning approach. Yu T; Jones DP Bioinformatics; 2014 Oct; 30(20):2941-8. PubMed ID: 25005748 [TBL] [Abstract][Full Text] [Related]
14. Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics. Gloaguen Y; Kirwan JA; Beule D Anal Chem; 2022 Mar; 94(12):4930-4937. PubMed ID: 35290737 [TBL] [Abstract][Full Text] [Related]
15. Quality evaluation of extracted ion chromatograms and chromatographic peaks in liquid chromatography/mass spectrometry-based metabolomics data. Zhang W; Zhao PX BMC Bioinformatics; 2014; 15 Suppl 11(Suppl 11):S5. PubMed ID: 25350128 [TBL] [Abstract][Full Text] [Related]
16. Data Processing Thresholds for Abundance and Sparsity and Missed Biological Insights in an Untargeted Chemical Analysis of Blood Specimens for Exposomics. Barupal DK; Baygi SF; Wright RO; Arora M Front Public Health; 2021; 9():653599. PubMed ID: 34178917 [No Abstract] [Full Text] [Related]
17. A Simple Method for Peak Alignment Using Relative Retention Time Related to an Inherent Peak in Liquid Chromatography-Mass Spectrometry-Based Metabolomics. Wang Y; Ma L; Zhang M; Chen M; Li P; He C; Yan C; Wan JB J Chromatogr Sci; 2019 Jan; 57(1):9-16. PubMed ID: 30084945 [TBL] [Abstract][Full Text] [Related]
18. Dissemination and analysis of the quality assurance (QA) and quality control (QC) practices of LC-MS based untargeted metabolomics practitioners. Evans AM; O'Donovan C; Playdon M; Beecher C; Beger RD; Bowden JA; Broadhurst D; Clish CB; Dasari S; Dunn WB; Griffin JL; Hartung T; Hsu PC; Huan T; Jans J; Jones CM; Kachman M; Kleensang A; Lewis MR; Monge ME; Mosley JD; Taylor E; Tayyari F; Theodoridis G; Torta F; Ubhi BK; Vuckovic D; Metabolomics; 2020 Oct; 16(10):113. PubMed ID: 33044703 [TBL] [Abstract][Full Text] [Related]
19. Deep Neural Networks for Classification of LC-MS Spectral Peaks. Kantz ED; Tiwari S; Watrous JD; Cheng S; Jain M Anal Chem; 2019 Oct; 91(19):12407-12413. PubMed ID: 31483992 [TBL] [Abstract][Full Text] [Related]
20. MARS: A Multipurpose Software for Untargeted LC-MS-Based Metabolomics and Exposomics. Goracci L; Tiberi P; Di Bona S; Bonciarelli S; Passeri GI; Piroddi M; Moretti S; Volpi C; Zamora I; Cruciani G Anal Chem; 2024 Jan; 96(4):1468-1477. PubMed ID: 38236168 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]