Christoph Steinbeck

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Christoph Steinbeck
Dr. Christoph Steinbeck.jpg
Christoph Steinbeck outside EMBL-EBI, at the Wellcome Trust Genome Campus, Hinxton, Cambridge, UK.
Born 1966 (age 48–49)[1]
Residence Germany
Nationality German
Alma mater University of Bonn
Thesis LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie (1995)
Doctoral students
Known for
Notable awards Blue Obelisk award[13]

Christoph Steinbeck is a chemist born in Neuwied[14] in 1966, working at the European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI).[15][16][17]


Steinbeck received his PhD from the University of Bonn[18][1] in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance (NMR) correlation experiments.[19] In 2003 he received his habilitation.[1][20]


Steinbeck's research interests[2][21][22][23] 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[24] and was founder of the Chemistry Development Kit[25][26] and is responsible for leading the team working on Chemical Entities of Biological Interest (ChEBI).[27][28][29][30][31] Currently he heads the Cheminformatics and Metabolomics group at the European Bioinformatics Institute in the United Kingdom. Together with a few other chemists he was a founder member of the Blue Obelisk[32][33] movement in 2005.[34]

Steinbeck is editor-in-chief of the Journal of Cheminformatics, director of the Metabolomics Society,[35] past chair of the Computers-Information-Chemistry division of the German Chemical Society, past trustee of the Chemical Structure Association Trust,[36] and a lifetime member of the World Association of Theoretically Oriented Chemists.[37]


  1. ^ a b c VIAF: 52749814
  2. ^ a b List of publications from Google Scholar
  3. ^ Han, Yongquan (2003). Evolutionary Algorithm as an Approach for Computer Assisted Structure Elucidation of Organic and Bioorganic Compounds (PhD thesis). Friedrich-Schiller-Universität Jena. 
  4. ^ 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. 
  5. ^ Helmus, Tobias (2007). Encoding, Storing and Searching of Analytical Properties and Assigned Metabolite Structures (PhD thesis). Universität zu Köln. 
  6. ^ 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. 
  7. ^ 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. 
  8. ^ Kuhn, Thomas (2009). Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis (PhD thesis). Universität zu Köln. 
  9. ^ 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. 
  10. ^ Moreno, Pablo (2012). Bioinformatic methods for species-specific metabolome inference (PhD thesis). University of Cambridge. 
  11. ^ 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. 
  12. ^ 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. 
  13. ^ Murray-Rust, P. Blue Obelisk Award – Christoph Steinbeck of CDK.
  14. ^
  15. ^ 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. 
  16. ^ 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. 
  17. ^ Christoph Steinbeck on Twitter
  18. ^ Steinbeck, Christoph (1995). LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie (PhD thesis). University of Bonn. 
  19. ^ 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. 
  20. ^ Steinbeck, Christoph (2003). Zur automatischen Strukturaufklärung organischer Verbindungen (Habiliation thesis). University of Bonn. 
  21. ^ List of publications from Microsoft Academic Search
  22. ^ List of publications from the DBLP Bibliography Server
  23. ^ Christoph Steinbeck from the Scopus bibliographic database.
  24. ^ 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. doi:10.3390/50100093. 
  25. ^ 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. doi:10.1021/ci025584y. PMID 12653513. 
  26. ^ 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. 
  27. ^ 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 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. 
  28. ^ 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. 
  29. ^ 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. 
  30. ^ 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. doi:10.1002/0471250953.bi1409s26. ISBN 0471250953. PMID 19496059. 
  31. ^ 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. 
  32. ^ 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. 
  33. ^ 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. 
  34. ^ 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. 
  35. ^ Metabolomics Society Board, website of Metabolomics Society
  36. ^ Chemical Structure Association Newsletter, 2006, 12,
  37. ^