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Accurate, fully-automated NMR spectral profiling for metabolomics.
Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. Ravanbakhsh S, et al. Among authors: wishart ds. PLoS One. 2015 May 27;10(5):e0124219. doi: 10.1371/journal.pone.0124219. eCollection 2015. PLoS One. 2015. PMID: 26017271 Free PMC article.
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, Wishart DS. Djoumbou Feunang Y, et al. Among authors: wishart ds. J Cheminform. 2016 Nov 4;8:61. doi: 10.1186/s13321-016-0174-y. eCollection 2016. J Cheminform. 2016. PMID: 27867422 Free PMC article.
YMDB 2.0: a significantly expanded version of the yeast metabolome database.
Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS. Ramirez-Gaona M, et al. Among authors: wishart na, wishart ds. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. Nucleic Acids Res. 2017. PMID: 27899612 Free PMC article.
497 results