ReDU: a framework to find and reanalyze public mass spectrometry data.

Autor: Jarmusch AK; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Wang M; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Aceves CM; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Advani RS; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Aguirre S; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Aksenov AA; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Aleti G; Department of Psychiatry, Stein Clinical Research, University of California, San Diego, La Jolla, CA, USA., Aron AT; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Bauermeister A; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Institute of Biomedical Sciences, Universidade de São Paulo, São Paulo, Brazil., Bolleddu S; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Bouslimani A; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Caraballo Rodriguez AM; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Chaar R; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Coras R; Department of Medicine, University of California, San Diego, La Jolla, CA, USA., Elijah EO; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Ernst M; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.; Center for Newborn Screening, Department of Congenital Disorders, Statens Serum Institut, Copenhagen, Denmark., Gauglitz JM; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Gentry EC; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Husband M; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Jarmusch SA; Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Old Aberdeen, UK., Jones KL 2nd; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Kamenik Z; Institute of Microbiology, Czech Academy of Sciences, Videnska, Czech Republic., Le Gouellec A; TIMC-IMAG, Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, Grenoble, France., Lu A; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., McCall LI; Department of Chemistry and Biochemistry, Department of Microbiology and Plant Biology, and Laboratories of Molecular Anthropology and Microbiome Research, University of Oklahoma, Norman, OK, USA., McPhail KL; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, OR, USA., Meehan MJ; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Melnik AV; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Menezes RC; Research Group Mass Spectrometry, Max Planck Institute for Chemical Ecology, Jena, Germany., Montoya Giraldo YA; Grupo de Investigación en Ciencias Biológicas y Bioprocesos (CIBIOP), Department of Biological Sciences, Universidad EAFIT, Medellín, Colombia., Nguyen NH; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Nothias LF; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Nothias-Esposito M; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Panitchpakdi M; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., Petras D; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.; Scripps Institution of Oceanography, University of California, San Diego, La Jolla, CA, USA., Quinn RA; Department of Biochemistry and Molecular Biology, Michigan State University, Lansing, MI, USA., Sikora N; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA., van der Hooft JJJ; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Bioinformatics Group, Wageningen University, Wageningen, the Netherlands., Vargas F; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.; Division of Biological Sciences, University of California, San Diego, La Jolla, CA, USA., Vrbanac A; Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, USA., Weldon KC; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA., Knight R; Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA.; Department of Computer Science and Engineering, University of California, San Diego, La Jolla, CA, USA.; Department of Bioengineering, University of California, San Diego, La Jolla, CA, USA., Bandeira N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA.; Department of Computer Science and Engineering, University of California, San Diego, La Jolla, CA, USA., Dorrestein PC; Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.
Jazyk: angličtina
Zdroj: Nature methods [Nat Methods] 2020 Sep; Vol. 17 (9), pp. 901-904. Date of Electronic Publication: 2020 Aug 17.
DOI: 10.1038/s41592-020-0916-7
Abstrakt: We present ReDU ( https://redu.ucsd.edu/ ), a system for metadata capture of public mass spectrometry-based metabolomics data, with validated controlled vocabularies. Systematic capture of knowledge enables the reanalysis of public data and/or co-analysis of one's own data. ReDU enables multiple types of analyses, including finding chemicals and associated metadata, comparing the shared and different chemicals between groups of samples, and metadata-filtered, repository-scale molecular networking.
Databáze: MEDLINE