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 | 108 | 2012 |
OMG: open molecule generator JE Peironcely, M Rojas-Chertó, D Fichera, T Reijmers, L Coulier, ... Journal of cheminformatics 4, 1-13, 2012 | 81 | 2012 |
Understanding and classifying metabolite space and metabolite-likeness JE Peironcely, T Reijmers, L Coulier, A Bender, T Hankemeier PloS one 6 (12), e28966, 2011 | 65 | 2011 |
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 | 63 | 2013 |
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization E van der Horst, JE Peironcely, AP IJzerman, MW Beukers, JR Lane, ... Bmc Bioinformatics 11, 1-12, 2010 | 57 | 2010 |
How do metabolites differ from their parent molecules and how are they excreted? J Kirchmair, A Howlett, JE Peironcely, DS Murrell, MJ Williamson, ... Journal of chemical information and modeling 53 (2), 354-367, 2013 | 45 | 2013 |
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 | 33 | 2012 |
Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space E van der Horst, J E Peironcely, G JP van Westen, O O van den Hoven, ... Current topics in medicinal chemistry 11 (15), 1964-1977, 2011 | 25 | 2011 |
Chemogenomics: Looking at biology through the lens of chemistry MR Doddareddy, GJP van Westen, E van der Horst, JE Peironcely, ... Statistical Analysis and Data Mining: The ASA Data Science Journal 2 (3 …, 2009 | 20 | 2009 |
PMG: multi-core metabolite identification MM Jaghoori, SSTQ Jongmans, F De Boer, J Peironcely, JL Faulon, ... Electronic Notes in Theoretical Computer Science 299, 53-60, 2013 | 13 | 2013 |
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules J Kirchmair, A Howlett, J Peironcely, DS Murrell, M Williamson, SE Adams, ... Journal of Cheminformatics 5, 1-2, 2013 | | 2013 |
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 |
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 |
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 |
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 |
Research article A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization E van der Horst, JE Peironcely, AP IJzerman, MW Beukers, JR Lane, ... | | 2010 |
This chapter is based upon E van der Horst, J Peironcely, A IJzerman, M Beukers, J Lane, ... Drugs, Structures, Fragments 11, 113, 2010 | | 2010 |