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Miquel Rojas-Cherto
Miquel Rojas-Cherto
Unknown affiliation
Verified email at miquelrojascherto.com - Homepage
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Cited by
Year
The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
Journal of cheminformatics 9, 1-19, 2017
4282017
Discovery of early-stage biomarkers for diabetic kidney disease using ms-based metabolomics (FinnDiane study)
FM Van der Kloet, FWA Tempels, N Ismail, R Van der Heijden, PT Kasper, ...
Metabolomics 8, 109-119, 2012
1792012
Metabolite identification using automated comparison of high-resolution multistage mass spectral trees
M Rojas-Cherto, JE Peironcely, PT Kasper, JJJ van der Hooft, ...
Analytical chemistry 84 (13), 5524-5534, 2012
1052012
Elemental composition determination based on MSn
M Rojas-Chertó, PT Kasper, EL Willighagen, RJ Vreeken, T Hankemeier, ...
Bioinformatics 27 (17), 2376-2383, 2011
822011
OMG: open molecule generator
JE Peironcely, M Rojas-Chertó, D Fichera, T Reijmers, L Coulier, ...
Journal of cheminformatics 4, 1-13, 2012
792012
Fragmentation trees for the structural characterisation of metabolites
PT Kasper, M Rojas‐Chertó, R Mistrik, T Reijmers, T Hankemeier, ...
Rapid Communications in Mass Spectrometry 26 (19), 2275-2286, 2012
592012
Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics
JE Peironcely, M Rojas-Chertó, A Tas, R Vreeken, T Reijmers, L Coulier, ...
Analytical chemistry 85 (7), 3576-3583, 2013
582013
MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data
M Rojas-Cherto, M van Vliet, JE Peironcely, R van Doorn, M Kooyman, ...
Bioinformatics 28 (20), 2707-2709, 2012
322012
The chemistry development kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching. J Cheminf
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
82017
Metitree: A web-application to organize and process multi-stage mass spectrometry data
M Rojas-Chertó, M van Vliet, JE Peironcely, T Hankemeier, T Reijmers
Towards automated identification of metabolites using mass spectral trees 28 …, 2012
2012
Towards automated identification of metabolites using mass spectral trees
M Rojas-Chertó
Bioinformatics 28 (20), 2707-9, 2012
2012
Metabolomics identification using MSn data: a new similarity approach for comparing mass spectral trees
M Rojas-Chertó, JE Peironcely, PT Kasper
Analytical Chemistry 84 (13), 5524-34, 2012
2012
Expanding and understanding metabolite space
JE Peironcely, A Bender, M Rojas-Chertó, T Reijmers, L Coulier, ...
Journal of Cheminformatics 2, 1-1, 2010
2010
Metabolite identification pipeline based on MS fragmentation
M Rojas-Cherto, JE Peironcely, PT Kasper, A Bender, JL Faulon, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010
2010
The pipelined metabolite identification based on MS fragmentation
M Rojas-Cherto, PT Kasper, P Julio E, T Reijmers, RJ Vreeken, ...
Journal of Cheminformatics 2 (Suppl 1), P53, 2010
2010
Discovering Partial Atomic Charges in Pi-Systems
MR Chertó
CDK News 3 (3), 41-48, 2006
2006
Application of high resolution multistage mass spectral trees for identification of electrochemically synthesized metabolites
A Kraj, M Rojas-Chertó, M Ries, HJ Brouwer, N Reinhoud, T Hankemeier, ...
MS n spectral tree databases: annotation and identification of plant metabolites
JJJ van der Hooft, M Rojas-Cherto, T Hankemeier, M van Vliet, T Reijmers, ...
Identification of electrochemically synthesized metabolites using high resolution multistage mass spectral trees
A Kraj, M Rojas-Cherto, M Ries, HJ Brouwer, N Reinhoud, T Hankemeier, ...
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Articles 1–19