HOME
The Info List - Christoph Steinbeck


--- Advertisement ---



(i)

CHRISTOPH STEINBECK is a chemist born in Neuwied
Neuwied
in 1966 and has a professorship for analytical chemistry , cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena in Thuringia , Germany.

CONTENTS

* 1 Education * 2 Research * 3 References * 4 External links

EDUCATION

Steinbeck received his PhD
PhD
from the University of Bonn in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance (NMR) correlation experiments. In 2003 he received his habilitation .

RESEARCH

Steinbeck's research interests 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 , was founder of the Chemistry Development Kit , and is responsible for leading the team working on Chemical Entities of Biological Interest (ChEBI) . He headed the Cheminformatics and Metabolomics group at the European Molecular Biology Laboratory -European Bioinformatics Institute in Cambridge
Cambridge
, United Kingdom from 2008 to 2016. He became a professor for analytical chemistry, cheminformatics and chemometrics at the 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 movement in 2005.

Steinbeck is editor-in-chief of the _Journal of Cheminformatics _, director of the Metabolomics Society, past chair of the Computers-Information-Chemistry division of the German Chemical Society , past trustee of the Chemical Structure Association Trust, and a lifetime member of the World Association of Theoretically Oriented Chemists .

REFERENCES

* ^ _A_ _B_ _C_ VIAF : 52749814 * ^ _A_ _B_ Christoph Steinbeck\'s publications indexed by 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. PMID 15032528 . doi :10.1021/ci034132y . * ^ Helmus, Tobias (2007). _Encoding, Storing and Searching of Analytical Properties and Assigned Metabolite
Metabolite
Structures_ (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. PMC 1808478  _. PMID 17316423 . doi :10.1186/1471-2105-8-59 . * ^ 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. PMID 17887743 . doi :10.1021/ci600531a . * ^ 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. PMC 2862046  _. PMID 20346188 . doi :10.1186/1471-2105-11-159 . * ^ 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. PMC 3646891  _. PMID 23667450 . doi :10.1371/journal.pone.0061951 . * ^ 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. PMC 3436723  _. PMID 22607271 . doi :10.1186/1471-2105-13-106 . * ^ 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. PMC 3740624  _. PMID 23766418 . doi :10.1093/bioinformatics/btt342 . * ^ May, J. W.; Steinbeck, C. (2014). "Efficient ring perception for the Chemistry Development Kit" . Journal of Cheminformatics_. 6 (3). PMC 3922685  _. PMID 24479757 . doi :10.1186/1758-2946-6-3 . * ^ 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. PMC 3765822  _. PMID 24103053 . doi :10.1186/1471-2105-14-257 . * ^ 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 . * ^ 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/ * ^ 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. PMC 3531056  _. PMID 23175605 . doi :10.1093/nar/gks1112 . * ^ 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. PMID 21878981 . doi :10.1038/nrd3503 . * ^ 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. * ^ 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_ (Habiliation thesis). University of Bonn. * ^ List of publications from Microsoft Academic Search * ^ 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 - 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 (CDK): An Open-Source Java Library for Chemo- and Bioinformatics". _Journal of Chemical Information and Modeling_. 43 (2): 493–500. PMID 12653513 . doi :10.1021/ci025584y . * ^ 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. PMID 16796559 . doi :10.2174/138161206777585274 . * ^ 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. PMC 3531142  _. PMID 23180789 . doi :10.1093/nar/gks1146 . * ^ 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. ISBN 978-1-61779-363-9 . PMID 22065232 . doi :10.1007/978-1-61779-364-6_19 . * ^ 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 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 and Cheminformatics Resource". In Andreas D. Baxevanis. _Current Protocols in Bioinformatics_. 14. pp. Unit Un14.9. ISBN 0471250953 . PMID 19496059 . doi :10.1002/0471250953.bi1409s26 . * ^ 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. PMC 2238832  _. PMID 17932057 . doi :10.1093/nar/gkm791 . * ^ 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. PMC 3205042  _. PMID 21999342 . doi :10.1186/1758-2946-3-37 . * ^ 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. PMID 16711717 . doi :10.1021/ci050400b . * ^ 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. PMID 16711717 . doi :10.1021/ci050400b . * ^ _ 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

* www.steinbeck-molecular.de *