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Journal Abstract Search

150 related items for PubMed ID: 36798308

  • 1. IDSL.CSA: Composite Spectra Analysis for Chemical Annotation of Untargeted Metabolomics Datasets.
    Baygi SF, Kumar Y, Barupal DK.
    bioRxiv; 2023 May 31. PubMed ID: 36798308
    [Abstract] [Full Text] [Related]

  • 2. IDSL.CSA: Composite Spectra Analysis for Chemical Annotation of Untargeted Metabolomics Datasets.
    Baygi SF, Kumar Y, Barupal DK.
    Anal Chem; 2023 Jun 27; 95(25):9480-9487. PubMed ID: 37311059
    [Abstract] [Full Text] [Related]

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  • 4. IDSL_MINT: a deep learning framework to predict molecular fingerprints from mass spectra.
    Baygi SF, Barupal DK.
    J Cheminform; 2024 Jan 18; 16(1):8. PubMed ID: 38238779
    [Abstract] [Full Text] [Related]

  • 5. 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 03; 21(6):1485-1494. PubMed ID: 35579321
    [Abstract] [Full Text] [Related]

  • 6. compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets.
    Edmands WM, Petrick L, Barupal DK, Scalbert A, Wilson MJ, Wickliffe JK, Rappaport SM.
    Anal Chem; 2017 Apr 04; 89(7):3919-3928. PubMed ID: 28225587
    [Abstract] [Full Text] [Related]

  • 7. Automated Annotation of Untargeted All-Ion Fragmentation LC-MS Metabolomics Data with MetaboAnnotatoR.
    Graça G, Cai Y, Lau CE, Vorkas PA, Lewis MR, Want EJ, Herrington D, Ebbels TMD.
    Anal Chem; 2022 Mar 01; 94(8):3446-3455. PubMed ID: 35180347
    [Abstract] [Full Text] [Related]

  • 8. MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.
    Zulfiqar M, Gadelha L, Steinbeck C, Sorokina M, Peters K.
    J Cheminform; 2023 Mar 04; 15(1):32. PubMed ID: 36871033
    [Abstract] [Full Text] [Related]

  • 9. MetaboMSDIA: A tool for implementing data-independent acquisition in metabolomic-based mass spectrometry analysis.
    Ledesma-Escobar CA, Priego-Capote F, Calderón-Santiago M.
    Anal Chim Acta; 2023 Jul 25; 1266():341308. PubMed ID: 37244659
    [Abstract] [Full Text] [Related]

  • 10. IDSL.GOA: gene ontology analysis for interpreting metabolomic datasets.
    Mahajan P, Fiehn O, Barupal D.
    Sci Rep; 2024 Jan 14; 14(1):1299. PubMed ID: 38221536
    [Abstract] [Full Text] [Related]

  • 11. 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 30; 96(4):1468-1477. PubMed ID: 38236168
    [Abstract] [Full Text] [Related]

  • 12. ipaPy2: Integrated Probabilistic Annotation (IPA) 2.0-an improved Bayesian-based method for the annotation of LC-MS/MS untargeted metabolomics data.
    Del Carratore F, Eagles W, Borka J, Breitling R.
    Bioinformatics; 2023 Jul 01; 39(7):. PubMed ID: 37490466
    [Abstract] [Full Text] [Related]

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  • 14. DecoMetDIA: Deconvolution of Multiplexed MS/MS Spectra for Metabolite Identification in SWATH-MS-Based Untargeted Metabolomics.
    Yin Y, Wang R, Cai Y, Wang Z, Zhu ZJ.
    Anal Chem; 2019 Sep 17; 91(18):11897-11904. PubMed ID: 31436405
    [Abstract] [Full Text] [Related]

  • 15. CluMSID: an R package for similarity-based clustering of tandem mass spectra to aid feature annotation in metabolomics.
    Depke T, Franke R, Brönstrup M.
    Bioinformatics; 2019 Sep 01; 35(17):3196-3198. PubMed ID: 30649189
    [Abstract] [Full Text] [Related]

  • 16. IDSL.GOA: Gene Ontology Analysis for Interpreting Metabolomic datasets.
    Mahajan P, Fiehn O, Barupal D.
    bioRxiv; 2024 Jan 05. PubMed ID: 37034715
    [Abstract] [Full Text] [Related]

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  • 19. 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 21; 16(11):117. PubMed ID: 33085002
    [Abstract] [Full Text] [Related]

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