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Christoph Steinbeck
Christoph Steinbeck
is a chemist born in Neuwied[22] in 1966 and has a professorship for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena
Friedrich-Schiller-Universität Jena
in Thuringia, Germany.[23][24]

Contents

1 Education 2 Research 3 References 4 External links

Education[edit] Steinbeck received his PhD
PhD
from the University of Bonn[25] in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance (NMR) correlation experiments.[26] In 2003 he received his habilitation.[27] Research[edit] Steinbeck's research interests[3][28][29][30] have involved the elucidation of chemical structures of metabolites. He has was one of the first chemists to develop open source tools for cheminformatics. He initiated JChemPaint,[31] was founder of the Chemistry Development Kit,[32][33] and is responsible for leading the team working on Chemical Entities of Biological Interest (ChEBI).[34][35][36][37][38] He headed the Cheminformatics and Metabolomics group at the European Molecular Biology Laboratory-European Bioinformatics
Bioinformatics
Institute in Cambridge, United Kingdom from 2008 to 2016. He became a professor for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena
Friedrich-Schiller-Universität Jena
in Thuringia, Germany in March 2017. Together with a few other chemists he was a founder member of the Blue Obelisk[39][40] movement in 2005.[41] Steinbeck is editor-in-chief of the Journal of Cheminformatics, director of the Metabolomics Society,[42] past chair of the Computers-Information-Chemistry division of the German Chemical Society, past trustee of the Chemical Structure Association Trust,[43] and a lifetime member of the World Association of Theoretically Oriented Chemists.[44] References[edit]

^ "Steinbeck, Christoph". DNB, Katalog der Deutschen Nationalbibliothek. German National Library. GND 128763922.  Missing or empty url= (help) ^ Murray-Rust, P. Blue Obelisk Award – Christoph Steinbeck
Christoph Steinbeck
of CDK. http://blogs.ch.cam.ac.uk/pmr/2006/09/14/blue-obelisk-award-christoph-steinbeck-of-cdk/ ^ a b Christoph Steinbeck
Christoph Steinbeck
publications indexed by Google Scholar
Google Scholar
^ Han, Yongquan (2003). Evolutionary Algorithm as an Approach for Computer Assisted Structure Elucidation of Organic and Bioorganic Compounds ( PhD
PhD
thesis). Friedrich-Schiller-Universität Jena.  ^ Han, Y; Steinbeck, C (2004). "Evolutionary-algorithm-based strategy for computer-assisted structure elucidation". Journal of Chemical Information and Modeling. 44 (2): 489–98. doi:10.1021/ci034132y. PMID 15032528.  ^ Helmus, Tobias (2007). Encoding, Storing and Searching of Analytical Properties and Assigned Metabolite Structures ( PhD
PhD
thesis). Universität zu Köln.  ^ Spjuth, O; Helmus, T; Willighagen, E. L.; Kuhn, S; Eklund, M; Wagener, J; Murray-Rust, P; Steinbeck, C; Wikberg, J. E. (2007). "Bioclipse: An open source workbench for chemo- and bioinformatics". BMC Bioinformatics. 8: 59. doi:10.1186/1471-2105-8-59. PMC 1808478 . PMID 17316423.  ^ Kuhn, S; Helmus, T; Lancashire, R. J.; Murray-Rust, P; Rzepa, H. S.; Steinbeck, C; Willighagen, E. L. (2007). "Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data". Journal of Chemical Information and Modeling. 47 (6): 2015–34. doi:10.1021/ci600531a. PMID 17887743.  ^ Kuhn, Thomas (2009). Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis ( PhD
PhD
thesis). Universität zu Köln.  ^ Kuhn, T; Willighagen, E. L.; Zielesny, A; Steinbeck, C (2010). "CDK-Taverna: An open workflow environment for cheminformatics". BMC Bioinformatics. 11: 159. doi:10.1186/1471-2105-11-159. PMC 2862046 . PMID 20346188.  ^ Moreno, Pablo (2012). Bioinformatic methods for species-specific metabolome inference ( PhD
PhD
thesis). University of Cambridge.  ^ Foster, J. M.; Moreno, P.; Fabregat, A.; Hermjakob, H.; Steinbeck, C.; Apweiler, R.; Wakelam, M. J. O.; Vizcaíno, J. A. (2013). Oresic, Matej, ed. "LipidHome: A Database of Theoretical Lipids Optimized for High Throughput Mass Spectrometry Lipidomics". PLoS ONE. 8 (5): e61951. doi:10.1371/journal.pone.0061951. PMC 3646891 . PMID 23667450.  ^ Jayaseelan, K. V.; Moreno, P.; Truszkowski, A.; Ertl, P.; Steinbeck, C. (2012). "Natural product-likeness score revisited: An open-source, open-data implementation". BMC Bioinformatics. 13: 106. doi:10.1186/1471-2105-13-106. PMC 3436723 . PMID 22607271.  ^ May, John (2015). Cheminformatics for Genome Scale Reconstruction ( PhD
PhD
thesis). University of Cambridge.  ^ May, J. W.; James, A. G.; Steinbeck, C. (2013). "Metingear: a development environment for annotating genome-scale metabolic models". Bioinformatics. 29 (17): 2213–2215. doi:10.1093/bioinformatics/btt342. PMC 3740624 . PMID 23766418.  ^ May, J. W.; Steinbeck, C. (2014). "Efficient ring perception for the Chemistry Development Kit". Journal of Cheminformatics. 6 (3). doi:10.1186/1758-2946-6-3. PMC 3922685 . PMID 24479757.  ^ Beisken, Stephan (2015). Informatics for Tandem Mass Spectrometry-based Metabolomics (PDF) ( PhD
PhD
thesis). University of Cambridge.  ^ Beisken, S.; Meinl, T.; Wiswedel, B.; de Figueiredo, L.; Berthold, M.; Steinbeck, C. (2013). "KNIMECDK: Workflow-driven Cheminformatics". BMC Bioinformatics. 14 (1): 257–260. doi:10.1186/1471-2105-14-257. PMC 3765822 . PMID 24103053.  ^ Beisken, S.; Portwood, D.; Seymour, M.; Steinbeck, C. (2014). "MassCascade: Visual programming for LC-MS data processing in metabolomics". Molecular Informatics. 33 (4): 307–310. doi:10.1002/minf.201400016.  ^ Beisken, S.; Earll, M.; Baxter, C.; Portwood, D.; Ament, Z.; Kende, A.; Hodgman, C.; Seymour, G.; Smith, R.; Fraser, P.; Seymour, M.; Steinbeck, C. (2014). "Metabolic differences in ripening of Solanum lycopersicum 'Ailsa Craig' and three monogenic mutants". Nature Scientific Data. 1 (1): 140029. doi:10.1038/sdata.2014.29.  ^ Beisken, S.; Conesa, P.; Haug, K.; Reza, S.; Steinbeck, C. (2015). "SpeckTackle: JavaScript Charts for Spectroscopy". Journal of Cheminformatics. 7 (17). doi:10.1186/s13321-015-0065-7.  ^ www.metabolomicssociety.org/people/christoph-steinbeck ^ Alcántara, R; Onwubiko, J; Cao, H; Matos, Pd; Cham, J. A.; Jacobsen, J; Holliday, G. L.; Fischer, J. D.; Rahman, S. A.; Jassal, B; Goujon, M; Rowland, F; Velankar, S; López, R; Overington, J. P.; Kleywegt, G. J.; Hermjakob, H; O'Donovan, C; Martín, M. J.; Thornton, J. M.; Steinbeck, C (2013). "The EBI enzyme portal". Nucleic Acids Research. 41 (Database issue): D773–80. doi:10.1093/nar/gks1112. PMC 3531056 . PMID 23175605.  ^ Orchard, S; Al-Lazikani, B; Bryant, S; Clark, D; Calder, E; Dix, I; Engkvist, O; Forster, M; Gaulton, A; Gilson, M; Glen, R; Grigorov, M; Hammond-Kosack, K; Harland, L; Hopkins, A; Larminie, C; Lynch, N; Mann, R. K.; Murray-Rust, P; Lo Piparo, E; Southan, C; Steinbeck, C; Wishart, D; Hermjakob, H; Overington, J; Thornton, J (2011). "Minimum information about a bioactive entity (MIABE)". Nature Reviews Drug Discovery. 10 (9): 661–9. doi:10.1038/nrd3503. PMID 21878981.  ^ Steinbeck, Christoph (1995). LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie ( PhD
PhD
thesis). University of Bonn. DNB-IDN 948048905.  ^ Steinbeck, C. (1996). "LUCY—A Program for Structure Elucidation from NMR Correlation Experiments". Angewandte Chemie International Edition in English. 35 (17): 1984–1986. doi:10.1002/anie.199619841.  ^ Steinbeck, Christoph (2003). Zur automatischen Strukturaufklärung organischer Verbindungen ( Habilitation thesis). University of Bonn. DNB-IDN 970193602.  ^ List of publications from Microsoft Academic ^ Christoph Steinbeck
Christoph Steinbeck
at DBLP Bibliography Server ^ Christoph Steinbeck's publications indexed by the Scopus bibliographic database, a service provided by Elsevier. (subscription required) ^ Krause, S.; Willighagen, E.; Steinbeck, C. (2000). " JChemPaint
JChemPaint
- Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures". Molecules. 5: 93–98. doi:10.3390/50100093.  ^ Steinbeck, C.; Han, Y.; Kuhn, S.; Horlacher, O.; Luttmann, E.; Willighagen, E. (2003). "The Chemistry Development Kit
Chemistry Development Kit
(CDK): An Open-Source Java Library for Chemo- and Bioinformatics". Journal of Chemical Information and Modeling. 43 (2): 493–500. doi:10.1021/ci025584y. PMID 12653513.  ^ Steinbeck, C.; Hoppe, C.; Kuhn, S.; Floris, M.; Guha, R.; Willighagen, E. (2006). "Recent Developments of the Chemistry Development Kit (CDK) - an Open-Source Java Library for Chemo- and Bioinformatics". Current Pharmaceutical Design. 12 (17): 2111–2120. doi:10.2174/138161206777585274. PMID 16796559.  ^ Hastings, J.; De Matos, P.; Dekker, A.; Ennis, M.; Harsha, B.; Kale, N.; Muthukrishnan, V.; Owen, G.; Turner, S.; Williams, M.; Steinbeck, C. (2012). "The ChEBI
ChEBI
reference database and ontology for biologically relevant chemistry: Enhancements for 2013". Nucleic Acids Research. 41 (Database issue): D456–D463. doi:10.1093/nar/gks1146. PMC 3531142 . PMID 23180789.  ^ Matos, P.; Adams, N.; Hastings, J.; Moreno, P.; Steinbeck, C. (2012). "A Database for Chemical Proteomics: ChEBI". Chemical Proteomics. Methods in Molecular Biology. 803. pp. 273–296. doi:10.1007/978-1-61779-364-6_19. ISBN 978-1-61779-363-9. PMID 22065232.  ^ Vita, R.; Peters, B.; Josephs, Z.; De Matos, P.; Ennis, M.; Turner, S.; Steinbeck, C.; Seymour, E.; Zarebski, L.; Sette, A. (2011). "A Model for Collaborative Curation, the IEDB and ChEBI
ChEBI
Curation of Non-peptidic Epitopes". Immunome research. 7 (1): 1–8. PMID 21897450.  ^ Degtyarenko, K.; Hastings, J.; De Matos, P.; Ennis, M. (2009). "ChEBI: An Open Bioinformatics
Bioinformatics
and Cheminformatics Resource". In Andreas D. Baxevanis. Current Protocols in Bioinformatics. 14. pp. Unit Un14.9. doi:10.1002/0471250953.bi1409s26. ISBN 0471250953. PMID 19496059.  ^ Degtyarenko, K.; De Matos, P.; Ennis, M.; Hastings, J.; Zbinden, M.; McNaught, A.; Alcantara, R.; Darsow, M.; Guedj, M.; Ashburner, M. (2007). "ChEBI: A database and ontology for chemical entities of biological interest". Nucleic Acids Research. 36 (Database issue): D344–D350. doi:10.1093/nar/gkm791. PMC 2238832 . PMID 17932057.  ^ O'Boyle, N. M.; Guha, R.; Willighagen, E. L.; Adams, S. E.; Alvarsson, J.; Bradley, J. C.; Filippov, I. V.; Hanson, R. M.; Hanwell, M. D.; Hutchison, G. R.; James, C. A.; Jeliazkova, N.; Lang, A. S. D.; Langner, K. M.; Lonie, D. C.; Lowe, D. M.; Pansanel, J. R. M.; Pavlov, D.; Spjuth, O.; Steinbeck, C.; Tenderholt, A. L.; Theisen, K. J.; Murray-Rust, P. (2011). "Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on". Journal of Cheminformatics. 3 (1): 37. doi:10.1186/1758-2946-3-37. PMC 3205042 . PMID 21999342.  ^ Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P.; Rzepa, H.; Steinbeck, C.; Wegner, J.; Willighagen, E. L. (2006). "The Blue Obelisk - Interoperability in Chemical Informatics". Journal of Chemical Information and Modeling. 46 (3): 991–998. doi:10.1021/ci050400b. PMID 16711717.  ^ Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P.; Rzepa, H.; Steinbeck, C.; Wegner, J.; Willighagen, E. L. (2006). "The Blue Obelisk - Interoperability in Chemical Informatics". Journal of Chemical Information and Modeling. 46 (3): 991–998. doi:10.1021/ci050400b. PMID 16711717.  ^ Metabolomics Society Board Archived 2014-03-23 at the Wayback Machine., website of Metabolomics Society ^ Chemical Structure Association Newsletter, 2006, 12, http://www.csa-trust.org/news06/Issue12.pdf ^ http://www.watoc.net/watoc.members.html

External links[edit]

www.steinbeck-molecular.de www.ebi.ac.uk/steinbeck

Authority control

WorldCat Identities VIAF: 52749814 ISNI: 0000 0000 1679 6921 ORCID: 0000-0001-6966-0814 GND: 128763922 DBLP: 37/2657 A

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