European Bioinformatics Institute

Semantic Applications in Life Sciences: Proceedings of the 4th International Workshop on Formal Biomedical Knowledge Representation, KR-MED. (2010), p.9–10

CDK-Taverna: an open workflow environment for cheminformatics.

Kuhn, Thomas, Willighagen Egon L., Zielesny Achim, and Steinbeck Christoph

BMC Bioinformatics. Volume 11, Number 1, (2010), p.159 doi: 10.1186/1471-2105-11-159

So what have data standards ever done for us? The view from metabolomics.

Griffin, Julian L., and Steinbeck Christoph

Genome medicine. Volume 2, Number 6, (2010), p.38 doi: 10.1186/gm159

What are chemical structures and their relations?

HASTINGS, J., Batchelor C., Steinbeck C., and Schulz S.

Proceeding of the 2010 conference on Formal Ontology in Information Systems. (2010), p.257–270

Ontological dependence, dispositions and institutional reality in chemistry

Batchelor, C., HASTINGS J., and Steinbeck C.

Proceeding of the 2010 conference on Formal Ontology in Information Systems. (2010), p.271–284

Representing chemicals using OWL, description graphs and rules

HASTINGS, J., Dumontier M., Hull D., Horridge M., Steinbeck C., Sattler U., Stevens R., Horne T., and Britz K.

CEUR Workshop Proceedings. Volume 614, (2010),

2009

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

Spjuth, Ola, Alvarsson Jonathan, Berg Arvid, Eklund Martin, Kuhn Stefan, Masak Carl, Torrance Gilleain, Wagener Johannes, Willighagen Egon L., Steinbeck Christoph, et al.

BMC Bioinformatics. Volume 10, Number 1, (2009), p.397 doi: 10.1186/1471-2105-10-397

OrChem - An open source chemistry search engine for Oracle(R).

Rijnbeek, Mark, and Steinbeck Christoph

Journal of cheminformatics. Volume 1, Number 1, (2009), p.17 doi: 10.1186/1758-2946-1-17

2008

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

Kuhn, S., Egert B., Neumann S., and Steinbeck C.

BMC Bioinformatics. Volume 9, Number 1, (2008), p.400

Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source

Blinov, K. A., Smurnyy Y. D., Elyashberg M. E., Churanova T. S., Kvasha M., Steinbeck C., Lefebvre B. A., and Williams A. J.

Journal of Chemical Information and Modeling. Volume 48, Number 3, (2008), p.550–555

2007

Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway

Schenk, A., Xu Z., Pfeiffer C., Steinbeck C., and Hertweck C.

Angewandte Chemie. Volume 119, Number 37, (2007), p.7165–7168

Userscripts for the life sciences

Willighagen, E. L., O'Boyle N. M., Gopalakrishnan H., Jiao D., Guha R., Steinbeck C., and Wild D. J.

BMC Bioinformatics. Volume 8, Number 1, (2007), p.487

Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway.

Schenk, Angéla, Xu Zhongli, Pfeiffer Corina, Steinbeck Christoph, and Hertweck Christian

Angewandte Chemie. International Ed. in English. Volume 46, Number 37, (2007), p.7035–7038 doi: 10.1002/anie.200702033

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

Spjuth, Ola, Helmus Tobias, Willighagen Egon L., Kuhn Stefan, Eklund Martin, Wagener Johannes, Murray-Rust Peter, Steinbeck Christoph, and Wikberg Jarl E. S.

BMC Bioinformatics. Volume 8, Number 1, (2007), p.59 doi: 10.1186/1471-2105-8-59

Geminal Bismethylation Prevents Polyketide Oxidation and Dimerization in the Benastatin Pathway This work was financially supported by the BMBF GenoMik program and by a Humboldt research fellowship to AS We are grateful to Dr. P. Krastel, Novartis, for th

Schenk, A., Xu Z., Pfeiffer C., Steinbeck C., and Hertweck C.

Angewandte Chemie International Edition. Volume 46, Number 37, (2007),

2006

Bioclipse: An open rich client workbench for chemo- and bioinformatics

Spjuth, Ola, Helmus Tobias, Willighagen Egon L., Kuhn Stefan, Eklund Martin, Steinbeck Christoph, and Wikberg Jarl E. S.

BMC Bioinformatics. (2006), p.submitted

The Blue Obelisk - Interoperability in Chemical Informatics

Guha, Rajarshi, Howard Michael T., Hutchison Geoffrey R., Murray-Rust Peter, Rzepa Henry, Steinbeck Christoph, Wegner Joerg, and Willighagen Egon L.

Journal of Chemical Information and Modeling. Volume 46, Number 3, (2006), p.991–998

Recent Developments of The Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

Steinbeck, Christoph, Hoppe Christian, Kuhn Stefan, Guha Rajarshi, and Willighagen Egon L.

Current pharmaceutical design. Volume 12, Number 17, (2006), p.2111–2120

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

Kuhn, Stefan, Murray-Rust Peter, Lancashire Robert John, Rzepa Henry, Helmus Tobias, and Steinbeck Christoph

Journal of Chemical Information and Modeling. (2006), p.submitted

Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials

Hoppe, C., Steinbeck C., and Wohlfahrt G.

Journal of Molecular Graphics \{&} Modelling. Volume 24, Number 5, (2006), p.328–340

2005

Eine offene NMR-Datenbank

Steinbeck, C., and Kuhn Stefan

Nachrichten Aus Der Chemie. sep, Volume 53, (2005), p.1039–1040

An open NMR database

Steinbeck, C.

Nachrichten Aus Der Chemie. Volume 53, Number 10, (2005), p.1039–1040

2004

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

Steinbeck, Christoph, and Kuhn Stefan

Phytochemistry. Volume 65, Number 19, (2004), p.2711–2717

Evolutionary-algorithm-based strategy for computer-assisted structure elucidation

Han, Y. Q., and Steinbeck C.

Journal of Chemical Information \{&} Computer Sciences. Volume 44, Number 2, (2004), p.489–498

Recent developments in automated structure elucidation of natural products

Steinbeck, C.

Natural Product Reports. Volume 21, Number 4, (2004), p.512–518

2003

Computer-Assisted Structure Elucidation

Steinbeck, Christoph

Handbook of Chemoinformatics. Volume 2, (2003), p.1378–1406

Correlations between Chemical Structures and NMR Data

Steinbeck, C.

(2003), Weinheim, p.1368–1377

NMRShiftDB - Constructing a free chemical information system with open-source components

Steinbeck, C., Krause S., and Kuhn S.

Journal of Chemical Information \{&} Computer Sciences. Volume 43, Number 6, (2003), p.1733–1739

The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics

Steinbeck, C., Han Y. Q., Kuhn S., Horlacher O., Luttmann E., and Willighagen E.

Journal of Chemical Information \{&} Computer Sciences. Volume 43, Number 2, (2003), p.493–500

2001

SENECA: A platform-independent, distributed, and parallel system for computer-assisted structure elucidation in organic chemistry

Steinbeck, C.

Journal of Chemical Information \{&} Computer Sciences. Volume 41, Number 6, (2001), p.1500–1507

Further isoflavonoid metabolites from Millettia griffoniana (Bail)

Yankep, E., Mbafor J. T., Fomum Z. T., Steinbeck C., Messanga B. B., Nyasse B., Budzikiewicz H., Lenz C., and Schmickler H.

Phytochemistry. Volume 56, Number 4, (2001), p.363–368

The automation of natural product structure elucidation

Steinbeck, Christoph

Current Opinion in Drug Discovery and Development. Volume 4, Number 3, (2001), p.338–342

2000

JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures

Krause, Stefan, Willighagen Egon, and Steinbeck Christoph

Molecules. Volume 5, Number 1, (2000), p.93–98

1999

Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex (W-TGCGCAC)(2)

Ho, W. C., Steinbeck C., and Richert C.

Biochemistry. Volume 38, Number 39, (1999), p.12597–12606

1998

Alkaloids from Thalictrum przewalskii

Zhang, G. L., Rucker G., Breitmaier E., Mayer R., and Steinbeck C.

Planta Medica-Natural Products and Medicinal Plant Research. Volume 64, Number 2, (1998), p.165–171

The role of ionic backbones in rna structure - an unusually stable non-watson-crick duplex of a nonionic analog in an apolar medium

Steinbeck, C., and Richert C.

Journal of the American Chemical Society. Volume 120, Number 45, (1998), p.11576–11580

1997

Masp - a Program Predicting Mass Spectra of Combinatorial Libraries

Steinbeck, C., Berlin K., and Richert C.

Journal of Chemical Information \{&} Computer Sciences. Volume 37, Number 3, (1997), p.449–457

Spectrometrically monitored selection experiments - quantitative laser desorption mass spectrometry of small chemical libraries

Berlin, K., Jain R. K., Tetzlaff C., Steinbeck C., and Richert C.

Chemistry \{&} Biology. Volume 4, Number 1, (1997), p.63–77

Identification of two chromenes from Calea serrata by semiautomatic structure elucidation

Steinbeck, C., Spitzer V., Starosta M., and von Poser G.

Journal of Natural Products. Volume 60, Number 6, (1997), p.627–628

1996

Synthesis of carba-porphyrinoids from tripyrranes and unsaturated dialdehydes

Berlin, K., Steinbeck C., and Breitmaier E.

Synthesis-Stuttgart. Number 3, (1996), p.336 ff.

LUCY-ein Programm zur Konstitutionsermittlung aus NMR-Korrelationsexperimenten Mein łdots}

Steinbeck, C.

Angewandte Chemie. (1996),

Synthesis of carba-porphyrinoids from tripyrranes and unsaturated dialdehydes

Berlin, K., Steinbeck C., and Breitmaier E.

Synthesis. Volume 1996, Number 3, (1996), p.336–340

Lucy - A Program For Structure Elucidation From NMR Correlation Experiments

Steinbeck, C.

Angewandte Chemie International Edition in English. Volume 35, Number 17, (1996), p.1984–1986

1995

A 4-methyl-7-hydroxyphthalide glycoside and other constituents from Quillaja saponaria molina

Steinbeck, C., Schneider C., Rotscheidt K., and Breitmaier E.

Phytochemistry. Volume 40, Number 4, (1995), p.1313–1315

Alkaloids from Dactylicapnos torulosa

Zhang, G. L., Rucker G., Breitmaier E., Nieger M., Mayer R., and Steinbeck C.

Phytochemistry. Volume 40, Number 1, (1995), p.299–305