SwePub
Sök i SwePub databas

  Utökad sökning

Träfflista för sökning "WFRF:(Micheau Pierre) "

Sökning: WFRF:(Micheau Pierre)

  • Resultat 1-1 av 1
Sortera/gruppera träfflistan
   
NumreringReferensOmslagsbildHitta
1.
  • Low, Dorrain Yanwen, et al. (författare)
  • Data sharing in PredRet for accurate prediction of retention time: Application to plant food bioactive compounds
  • 2021
  • Ingår i: Food Chemistry. - : Elsevier BV. - 0308-8146 .- 1873-7072. ; 357
  • Tidskriftsartikel (refereegranskat)abstract
    • Prediction of retention times (RTs) is increasingly considered in untargeted metabolomics to complement MS/MS matching for annotation of unidentified peaks. We tested the performance of PredRet (http://predret.org/) to predict RTs for plant food bioactive metabolites in a data sharing initiative containing entry sets of 29–103 compounds (totalling 467 compounds, >30 families) across 24 chromatographic systems (CSs). Between 27 and 667 predictions were obtained with a median prediction error of 0.03–0.76 min and interval width of 0.33–8.78 min. An external validation test of eight CSs showed high prediction accuracy. RT prediction was dependent on shape and type of LC gradient, and number of commonly measured compounds. Our study highlights PredRet's accuracy and ability to transpose RT data acquired from one CS to another CS. We recommend extensive RT data sharing in PredRet by the community interested in plant food bioactive metabolites to achieve a powerful community-driven open-access tool for metabolomics annotation.
  •  
Skapa referenser, mejla, bekava och länka
  • Resultat 1-1 av 1

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Stäng

Kopiera och spara länken för att återkomma till aktuell vy