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OMG: Open Molecule Generator.
Peironcely JE, Rojas-Chertó M, Fichera D, Reijmers T, Coulier L, Faulon JL, Hankemeier T. Peironcely JE, et al. Among authors: rojas cherto m. J Cheminform. 2012 Sep 17;4(1):21. doi: 10.1186/1758-2946-4-21. J Cheminform. 2012. PMID: 22985496 Free PMC article.
Elemental composition determination based on MS(n).
Rojas-Chertó M, Kasper PT, Willighagen EL, Vreeken RJ, Hankemeier T, Reijmers TH. Rojas-Chertó M, et al. Bioinformatics. 2011 Sep 1;27(17):2376-83. doi: 10.1093/bioinformatics/btr409. Epub 2011 Jul 14. Bioinformatics. 2011. PMID: 21757467
Fragmentation trees for the structural characterisation of metabolites.
Kasper PT, Rojas-Chertó M, Mistrik R, Reijmers T, Hankemeier T, Vreeken RJ. Kasper PT, et al. Among authors: rojas cherto m. Rapid Commun Mass Spectrom. 2012 Oct 15;26(19):2275-86. doi: 10.1002/rcm.6340. Rapid Commun Mass Spectrom. 2012. PMID: 22956319 Free PMC article.
Discovery of early-stage biomarkers for diabetic kidney disease using ms-based metabolomics (FinnDiane study).
van der Kloet FM, Tempels FW, Ismail N, van der Heijden R, Kasper PT, Rojas-Cherto M, van Doorn R, Spijksma G, Koek M, van der Greef J, Mäkinen VP, Forsblom C, Holthöfer H, Groop PH, Reijmers TH, Hankemeier T. van der Kloet FM, et al. Among authors: rojas cherto m. Metabolomics. 2012 Feb;8(1):109-119. doi: 10.1007/s11306-011-0291-6. Epub 2011 Feb 24. Metabolomics. 2012. PMID: 22279428 Free PMC article.
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N, Kuhn S, Pluskal T, Rojas-Chertó M, Spjuth O, Torrance G, Evelo CT, Guha R, Steinbeck C. Willighagen EL, et al. Among authors: rojas cherto m. J Cheminform. 2017 Sep 20;9(1):53. doi: 10.1186/s13321-017-0231-1. J Cheminform. 2017. PMID: 29086079 Free PMC article. No abstract available.