Christoph Steinbeck: Difference between revisions
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* Yongquan Han<ref name="hanphd">{{cite thesis |degree=PhD |first=Yongquan |last=Han |title=Evolutionary Algorithm as an Approach for Computer Assisted Structure Elucidation of Organic and Bioorganic Compounds |publisher=Friedrich-Schiller-Universität Jena |date=2003 |url=http://www.db-thueringen.de/servlets/DocumentServlet?name=FSU_Jena_Han_Yongquan |accessdate=2014-03-19 |archiveurl=https://web.archive.org/web/20140319090313/http://www.db-thueringen.de/servlets/DocumentServlet?name=FSU_Jena_Han_Yongquan |archivedate=2014-03-19 |url-status=dead }}</ref><ref>{{Cite journal |
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| pmid = 15032528 |
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| year = 2004 |
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| author1 = Han |
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| first1 = Y |
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| title = Evolutionary-algorithm-based strategy for computer-assisted structure elucidation |
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| journal = Journal of Chemical Information and Modeling |
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| volume = 44 |
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| issue = 2 |
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| pages = 489–98 |
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| last2 = Steinbeck |
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| first2 = C |
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| doi = 10.1021/ci034132y |
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}}</ref> |
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* Tobias Helmus<ref name="helmusphd">{{cite thesis |degree=PhD |first=Tobias|last=Helmus|title=Encoding, Storing and Searching of Analytical Properties and Assigned Metabolite Structures |publisher=Universität zu Köln |date=2007 |url=http://kups.ub.uni-koeln.de/2080/}}</ref><ref>{{Cite journal |
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| pmid = 17316423 |
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| year = 2007 |
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| author1 = Spjuth |
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| first1 = O |
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| title = Bioclipse: An open source workbench for chemo- and bioinformatics |
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| journal = BMC Bioinformatics |
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| volume = 8 |
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| pages = 59 |
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| last2 = Helmus |
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| first2 = T |
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| last3 = Willighagen |
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| first3 = E. L. |
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| last4 = Kuhn |
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| first4 = S |
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| last5 = Eklund |
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| first5 = M |
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| last6 = Wagener |
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| first6 = J |
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| last7 = Murray-Rust |
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| first7 = P |
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| last8 = Steinbeck |
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| first8 = C |
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| last9 = Wikberg |
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| first9 = J. E. |
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| doi = 10.1186/1471-2105-8-59 |
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| pmc = 1808478 |
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}}</ref><ref>{{Cite journal |
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| pmid = 17887743 |
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| year = 2007 |
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| author1 = Kuhn |
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| first1 = S |
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| title = Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data |
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| journal = Journal of Chemical Information and Modeling |
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| volume = 47 |
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| issue = 6 |
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| pages = 2015–34 |
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| last2 = Helmus |
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| first2 = T |
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| last3 = Lancashire |
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| first3 = R. J. |
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| last4 = Murray-Rust |
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| first4 = P |
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| last5 = Rzepa |
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| first5 = H. S. |
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| last6 = Steinbeck |
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| first6 = C |
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| last7 = Willighagen |
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| first7 = E. L. |
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| doi = 10.1021/ci600531a |
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}}</ref> |
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* Thomas Kuhn<ref name="kuhnphd">{{cite thesis |degree=PhD |first=Thomas|last=Kuhn|title=Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis |publisher=Universität zu Köln |date=2009 |url=http://kups.ub.uni-koeln.de/2660/}}</ref><ref>{{Cite journal |
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| pmid = 20346188 |
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| year = 2010 |
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| author1 = Kuhn |
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| first1 = T |
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| title = CDK-Taverna: An open workflow environment for cheminformatics |
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| journal = BMC Bioinformatics |
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| volume = 11 |
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| pages = 159 |
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| last2 = Willighagen |
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| first2 = E. L. |
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| last3 = Zielesny |
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| first3 = A |
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| last4 = Steinbeck |
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| first4 = C |
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| doi = 10.1186/1471-2105-11-159 |
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| pmc = 2862046 |
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}}</ref> |
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* Pablo Moreno<ref name="morenophd">{{cite thesis |degree=PhD |first=Pablo|last=Moreno |title=Bioinformatic methods for species-specific metabolome inference |publisher=University of Cambridge |date=2012 |url=http://www.ebi.ac.uk/research/publications/theses}}</ref><ref>{{Cite journal |
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| last1 = Foster | first1 = J. M. |
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| last2 = Moreno | first2 = P. |
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| last3 = Fabregat | first3 = A. |
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| last4 = Hermjakob | first4 = H. |
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| last5 = Steinbeck | first5 = C. |
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| authorlink5 = Christoph Steinbeck |
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| last6 = Apweiler | first6 = R. |
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| authorlink6 = Rolf Apweiler |
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| last7 = Wakelam | first7 = M. J. O. |
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| last8 = Vizcaíno | first8 = J. A. |
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| editor1-last = Oresic |
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| editor1-first = Matej |
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| doi = 10.1371/journal.pone.0061951 |
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| title = LipidHome: A Database of Theoretical Lipids Optimized for High Throughput Mass Spectrometry Lipidomics |
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| journal = PLoS ONE |
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| volume = 8 |
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| issue = 5 |
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| pages = e61951 |
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| year = 2013 |
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| pmid = 23667450 |
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| pmc =3646891 |
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}}</ref><ref>{{Cite journal |
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| last1 = Jayaseelan | first1 = K. V. |
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| last2 = Moreno | first2 = P. |
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| last3 = Truszkowski | first3 = A. |
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| last4 = Ertl | first4 = P. |
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| last5 = Steinbeck | first5 = C. |
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| authorlink5 = Christoph Steinbeck |
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| title = Natural product-likeness score revisited: An open-source, open-data implementation |
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| doi = 10.1186/1471-2105-13-106 |
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| journal = BMC Bioinformatics |
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| volume = 13 |
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| pages = 106 |
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| year = 2012 |
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| pmid = 22607271 |
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| pmc =3436723 |
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}}</ref> |
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* John May<ref name="mayphd">{{cite thesis |degree=PhD |first=John|last=May |title=Cheminformatics for Genome Scale Reconstruction |publisher=University of Cambridge |date=2015 |url=https://www.repository.cam.ac.uk/handle/1810/246652}}</ref><ref>{{Cite journal |
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| last1 = May | first1 = J. W. |
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| last2 = James | first2 = A. G. |
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| last3 = Steinbeck | first3 = C. |
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| authorlink3 = Christoph Steinbeck |
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| title = Metingear: a development environment for annotating genome-scale metabolic models |
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| doi = 10.1093/bioinformatics/btt342 |
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| journal = Bioinformatics |
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| volume = 29 |
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| issue = 17 |
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| pages = 2213–2215 |
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| year = 2013 |
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| pmid = 23766418 |
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| pmc = 3740624 |
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}}</ref><ref>{{Cite journal |
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| last1 = May | first1 = J. W. |
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| last2 = Steinbeck | first2 = C. |
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| authorlink2 = Christoph Steinbeck |
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| title = Efficient ring perception for the Chemistry Development Kit |
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| doi = 10.1186/1758-2946-6-3 |
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| journal = Journal of Cheminformatics |
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| volume = 6 |
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| issue = 3 |
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| year = 2014 |
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| pmid = 24479757 |
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| pmc = 3922685 |
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}}</ref> |
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* Stephan Beisken<ref name="beiskenphd">{{cite thesis |degree=PhD |first=Stephan|last=Beisken |title=Informatics for Tandem Mass Spectrometry-based Metabolomics |publisher=University of Cambridge |date=2015 |url=https://www.ebi.ac.uk/sites/ebi.ac.uk/files/shared/documents/phdtheses/Beisken.pdf}}</ref><ref>{{Cite journal |
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| last1 = Beisken | first1 = S. |
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| last2 = Meinl | first2 = T. |
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| last3 = Wiswedel | first3 = B. |
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| last4 = de Figueiredo | first4 = L. |
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| last5 = Berthold | first5 = M. |
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| last6 = Steinbeck | first6 = C. |
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| authorlink6 = Christoph Steinbeck |
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| title = KNIMECDK: Workflow-driven Cheminformatics |
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| doi = 10.1186/1471-2105-14-257 |
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| journal = BMC Bioinformatics |
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| volume = 14 |
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| issue = 1 |
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| pages = 257–260 |
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| year = 2013 | pmid=24103053 | pmc=3765822 |
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}}</ref><ref>{{Cite journal |
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| last1 = Beisken | first1 = S. |
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| last2 = Portwood | first2 = D. |
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| last3 = Seymour | first3 = M. |
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| last4 = Steinbeck | first4 = C. |
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| authorlink4 = Christoph Steinbeck |
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| title = MassCascade: Visual programming for LC-MS data processing in metabolomics |
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| doi = 10.1002/minf.201400016 |
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| journal = Molecular Informatics |
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| volume = 33 |
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| issue = 4 |
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| pages = 307–310 |
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| year = 2014 |
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| pmc = 4524413}}</ref><ref>{{Cite journal |
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| last1 = Beisken | first1 = S. |
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| last2 = Earll | first2 = M. |
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| last3 = Baxter | first3 = C. |
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| last4 = Portwood | first4 = D. |
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| last5 = Ament | first5 = Z. |
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| last6 = Kende | first6 = A. |
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| last7 = Hodgman | first7 = C. |
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| last8 = Seymour | first8 = G. |
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| last9 = Smith | first9 = R. |
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| last10 = Fraser | first10 = P. |
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| last11 = Seymour | first11 = M. |
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| last12 = Steinbeck | first12 = C. |
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| authorlink12 = Christoph Steinbeck |
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| title = Metabolic differences in ripening of Solanum lycopersicum 'Ailsa Craig' and three monogenic mutants |
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| doi = 10.1038/sdata.2014.29 |
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| pmid = 25977786 |
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| pmc = 4322568 |
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| journal = Scientific Data |
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| volume = 1 |
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| issue = 1 |
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| year = 2014 | pages=140029 |
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}}</ref><ref>{{Cite journal |
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| last1 = Beisken | first1 = S. |
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| last2 = Conesa | first2 = P. |
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| last3 = Haug | first3 = K. |
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| last4 = Reza | first4 = S. |
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| last5 = Steinbeck | first5 = C. |
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| authorlink5 = Christoph Steinbeck |
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| title = SpeckTackle: JavaScript Charts for Spectroscopy |
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| doi = 10.1186/s13321-015-0065-7 |
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| journal = Journal of Cheminformatics |
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| volume = 7 |
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| issue = 17 |
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| year = 2015 |
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| pmc = 4432097 |
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}}</ref> |
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}} |
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|notable_students = |
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|known_for = {{Plainlist| |
|known_for = {{Plainlist| |
Revision as of 12:47, 30 November 2019
Christoph Steinbeck | |
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Born | 1966 (age 57–58)[3] |
Nationality | German |
Alma mater | University of Bonn |
Known for | |
Awards | Blue Obelisk award[1] |
Scientific career | |
Fields | |
Institutions | |
Thesis | LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie (1995) |
Website | www |
Christoph Steinbeck is a chemist born in Neuwied[4] in 1966 and has a professorship for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena in Thuringia, Germany.[5][6]
Education
Steinbeck received his PhD from the University of Bonn[7] in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance (NMR) correlation experiments.[8] In 2003 he received his habilitation.[9]
Research
Steinbeck's research interests[2][10][11][12] have involved the elucidation of chemical structures of metabolites. He was one of the first chemists to develop open source tools for cheminformatics. He initiated JChemPaint,[13] was founder of the Chemistry Development Kit,[14][15] and is responsible for leading the team working on Chemical Entities of Biological Interest (ChEBI).[16][17][18][19] He headed the Cheminformatics and Metabolomics group at the European Molecular Biology Laboratory-European 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 in Thuringia, Germany in March 2017. Together with a few other chemists he was a founder member of the Blue Obelisk[20][21] movement in 2005.[22]
Steinbeck is editor-in-chief of the Journal of Cheminformatics, director of the Metabolomics Society,[23] past chair of the Computers-Information-Chemistry division of the German Chemical Society, past trustee of the Chemical Structure Association Trust,[24] and a lifetime member of the World Association of Theoretically Oriented Chemists.[25]
References
- ^ Murray-Rust, P. Blue Obelisk Award – 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 publications indexed by Google Scholar
- ^ "Steinbeck, Christoph". DNB, Katalog der Deutschen Nationalbibliothek. German National Library. GND 128763922.
{{cite web}}
: Missing or empty|url=
(help) - ^ 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 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.
- ^ Christoph Steinbeck publications indexed by Microsoft Academic
- ^ Christoph Steinbeck at DBLP Bibliography Server
- ^ Christoph Steinbeck's publications indexed by the Scopus bibliographic database. (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 (12): 93–98. doi:10.3390/50100093.
{{cite journal}}
: CS1 maint: unflagged free DOI (link) - ^ 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. PMC 4901983. 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" (PDF). 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 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. Vol. 803. pp. 273–296. doi:10.1007/978-1-61779-364-6_19. ISBN 978-1-61779-363-9. PMID 22065232.
- ^ Degtyarenko, K.; Hastings, J.; De Matos, P.; Ennis, M. (2009). "ChEBI: An Open Bioinformatics and Cheminformatics Resource". In Andreas D. Baxevanis (ed.). Current Protocols in Bioinformatics. Vol. 14. pp. Unit Un14.9. doi:10.1002/0471250953.bi1409s26. ISBN 978-0471250951. 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.
{{cite journal}}
: CS1 maint: unflagged free DOI (link) - ^ 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. PMC 4878861. 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. PMC 4878861. 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 Archived 2016-03-26 at the Wayback Machine
- ^ http://www.watoc.net/watoc.members.html