Steinbeck C - Search Results

1

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction.

Kuhn S, Egert B, Neumann S, Steinbeck C. Kuhn S, et al. Among authors: steinbeck c. BMC Bioinformatics. 2008 Sep 25;9:400. doi: 10.1186/1471-2105-9-400. BMC Bioinformatics. 2008. PMID: 18817546 Free PMC article.

2

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.

Steinbeck C, Han Y, Kuhn S, Horlacher O, Luttmann E, Willighagen E. Steinbeck C, et al. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):493-500. doi: 10.1021/ci025584y. J Chem Inf Comput Sci. 2003. PMID: 12653513 Free PMC article.

3

NMRShiftDB-constructing a free chemical information system with open-source components.

Steinbeck C, Krause S, Kuhn S. Steinbeck C, et al. J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):1733-9. doi: 10.1021/ci0341363. J Chem Inf Comput Sci. 2003. PMID: 14632418

4

NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database.

Steinbeck C, Kuhn S. Steinbeck C, et al. Phytochemistry. 2004 Oct;65(19):2711-7. doi: 10.1016/j.phytochem.2004.08.027. Phytochemistry. 2004. PMID: 15464159

5

Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.

Steinbeck C, Hoppe C, Kuhn S, Floris M, Guha R, Willighagen EL. Steinbeck C, et al. Curr Pharm Des. 2006;12(17):2111-20. doi: 10.2174/138161206777585274. Curr Pharm Des. 2006. PMID: 16796559 Review.

6

Bioclipse: an open source workbench for chemo- and bioinformatics.

Spjuth O, Helmus T, Willighagen EL, Kuhn S, Eklund M, Wagener J, Murray-Rust P, Steinbeck C, Wikberg JE. Spjuth O, et al. Among authors: steinbeck c. BMC Bioinformatics. 2007 Feb 22;8:59. doi: 10.1186/1471-2105-8-59. BMC Bioinformatics. 2007. PMID: 17316423 Free PMC article.

7

Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data.

Kuhn S, Helmus T, Lancashire RJ, Murray-Rust P, Rzepa HS, Steinbeck C, Willighagen EL. Kuhn S, et al. Among authors: steinbeck c. J Chem Inf Model. 2007 Nov-Dec;47(6):2015-34. doi: 10.1021/ci600531a. Epub 2007 Sep 22. J Chem Inf Model. 2007. PMID: 17887743

8

Bioclipse 2: a scriptable integration platform for the life sciences.

Spjuth O, Alvarsson J, Berg A, Eklund M, Kuhn S, Mäsak C, Torrance G, Wagener J, Willighagen EL, Steinbeck C, Wikberg JE. Spjuth O, et al. Among authors: steinbeck c. BMC Bioinformatics. 2009 Dec 3;10:397. doi: 10.1186/1471-2105-10-397. BMC Bioinformatics. 2009. PMID: 19958528 Free PMC article.

9

MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data.

Haug K, Salek RM, Conesa P, Hastings J, de Matos P, Rijnbeek M, Mahendraker T, Williams M, Neumann S, Rocca-Serra P, Maguire E, González-Beltrán A, Sansone SA, Griffin JL, Steinbeck C. Haug K, et al. Among authors: steinbeck c. Nucleic Acids Res. 2013 Jan;41(Database issue):D781-6. doi: 10.1093/nar/gks1004. Epub 2012 Oct 29. Nucleic Acids Res. 2013. PMID: 23109552 Free PMC article.

10

The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience.

Griss J, Jones AR, Sachsenberg T, Walzer M, Gatto L, Hartler J, Thallinger GG, Salek RM, Steinbeck C, Neuhauser N, Cox J, Neumann S, Fan J, Reisinger F, Xu QW, Del Toro N, Pérez-Riverol Y, Ghali F, Bandeira N, Xenarios I, Kohlbacher O, Vizcaíno JA, Hermjakob H. Griss J, et al. Among authors: steinbeck c. Mol Cell Proteomics. 2014 Oct;13(10):2765-75. doi: 10.1074/mcp.O113.036681. Epub 2014 Jun 30. Mol Cell Proteomics. 2014. PMID: 24980485 Free PMC article.

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