• Data sharing in PredRet for accurate prediction of retention time: Application to plant food bioactive compounds 

      Low, Dorrain Yanwen; Koistinen, Ville Mikael; Hanhineva, Kati; Rodriguez-Mateos, Ana; Abrankó, László; da Silva, Andreia Bento; van Poucke, Christof; Almeida, Conceição; Andres-Lacueva, Cristina; Rai, Dilip K.; Capanoglu, Esra; Barberán, Francisco A. Tomás; Mattivi, Fulvio; Schmidt, Gesine; Gürdeniz, Gözde; Valentová, Kateřina; Bresciani, Letizia; Petrásková, Lucie; Dragsted, Lars Ove; Philo, Mark; Ulaszewska, Marynka; Mena, Pedro; González-Domínguez, Raúl; Kamiloglu, Senem; de Pascual-Teresa, Sonia; Durand, Stéphanie; Wiczkowski, Wieslaw; Bronze, Maria Rosario; Stanstrup, Jan; Manach, Claudine (Peer reviewed; Journal article, 2021)
      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 ...