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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: reijmers t. J Cheminform. 2012 Sep 17;4(1):21. doi: 10.1186/1758-2946-4-21. J Cheminform. 2012. PMID: 22985496 Free PMC article.
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: reijmers t. 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.
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. Among authors: reijmers th. Bioinformatics. 2011 Sep 1;27(17):2376-83. doi: 10.1093/bioinformatics/btr409. Epub 2011 Jul 14. Bioinformatics. 2011. PMID: 21757467
AVAILABILITY: Software available at: http://abs.lacdr.gorlaeus.net/people/rojas-cherto CONTACT: m.rojas@lacdr.leidenuniv.nl; t.reijmers@lacdr.leidenuniv.nl SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online....
AVAILABILITY: Software available at: http://abs.lacdr.gorlaeus.net/people/rojas-cherto CONTACT: m.rojas@lacdr.leidenuniv.nl; t.rei …
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