For the normative version of our publication list see Christoph Steinbeck‘s ORCID profile.

163 entries « 3 of 4 »

2013

Foster, Joseph M; Moreno, Pablo; Fabregat, Antonio; Hermjakob, Henning; Steinbeck, Christoph; Apweiler, Rolf; Wakelam, Michael J O; Vizca'ino, Juan Antonio

LipidHome: a database of theoretical lipids optimized for high throughput mass spectrometry lipidomics. Journal Article

In: PLoS ONE, vol. 8, no. 5, pp. e61951, 2013.

Abstract | Links | BibTeX

De Matos, Paula; Cham, Jennifer A; Cao, Hong; Alcantara, Rafael; Rowland, Francis; Lopez, Rodrigo; Steinbeck, Christoph

The Enzyme Portal: A case study in applying user-centred design methods in bioinformatics Journal Article

In: BMC Bioinformatics, vol. 14, no. 1, pp. 103, 2013.

Abstract | Links | BibTeX

2012

Markley, John L; Akutsu, Hideo; Asakura, Tetsuo; Baldus, Marc; Boelens, Rolf; Bonvin, Alexandre; Kaptein, Robert; Bax, Ad; Bezsonova, Irina; Gryk, Michael R; Hoch, Jeffrey C; Korzhnev, Dmitry M; Maciejewski, Mark W; Case, Dave; Chazin, Walter J; Cross, Timothy A; Dames, Sonja; Kessler, Horst; Lange, Oliver; Madl, Tobias; Reif, Bernd; Sattler, Michael; Eliezer, David; Fersht, Alan; Forman-Kay, Julie; Kay, Lewis E; Fraser, James; Gross, John; Kortemme, Tanja; Sali, Andrej; Fujiwara, Toshimichi; Gardner, Kevin; Luo, Xuelian; Rizo-Rey, Jose; Rosen, Michael; Gil, Roberto R; Ho, Chien; Rule, Gordon; Gronenborn, Angela M; Ishima, Rieko; Klein-Seetharaman, Judith; Tang, Pei; van der Wel, Patrick; Xu, Yan; Grzesiek, Stephan; Hiller, Sebastian; Seelig, Joachim; Laue, Ernest D; Mott, Helen; Nietlispach, Daniel; Barsukov, Igor; Lian, Lu-Yun; Middleton, David; Blumenschein, Tharin; Moore, Geoffrey; Campbell, Iain; Schnell, Jason; Vakonakis, Ioannis John; Watts, Anthony; Conte, Maria R; Mason, James; Pfuhl, Mark; Sanderson, Mark R; Craven, Jeremy; Williamson, Michael; Dominguez, Cyril; Roberts, Gordon; Günther, Ulrich; Overduin, Michael; Werner, Joern; Williamson, Philip; Blindauer, Claudia; Crump, Matthew; Driscoll, Paul; Frenkiel, Tom; Golovanov, Alexander; Matthews, Steve; Parkinson, John; Uhrin, Dusan; Williams, Mark; Neuhaus, David; Oschkinat, Hartmut; Ramos, Andres; Shaw, David E; Steinbeck, Christoph; Vendruscolo, Michele; Vuister, Geerten W; Walters, Kylie J; Weinstein, Harel; Wüthrich, Kurt; Yokoyama, Shigeyuki

In support of the BMRB. Journal Article

In: Nature structural & molecular biology, vol. 19, no. 9, pp. 854–860, 2012.

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Steinbeck, Christoph; Conesa, Pablo; Haug, Kenneth; Mahendraker, Tejasvi; Williams, Mark; Maguire, Eamonn; Rocca-Serra, Philippe; Sansone, Susanna-Assunta; Salek, Reza M; Griffin, Julian L

MetaboLights: towards a new COSMOS of metabolomics data management Journal Article

In: Metabolomics, vol. 8, no. 5, pp. 757–760, 2012.

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Pavelin, Katrina; Cham, Jennifer A; De Matos, Paula; Brooksbank, Cath; Cameron, Graham; Steinbeck, Christoph

Bioinformatics Meets User-Centred Design: A Perspective Journal Article

In: PLoS Computational Biology, vol. 8, no. 7, pp. e1002554, 2012.

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Sansone, Susanna-Assunta; Rocca-Serra, Philippe; Field, Dawn; Maguire, Eamonn; Taylor, Chris; Hofmann, Oliver; Fang, Hong; Neumann, Steffen; Tong, Weida; Amaral-Zettler, Linda; Begley, Kimberly; Booth, Tim; Bougueleret, Lydie; Burns, Gully; Chapman, Brad; Clark, Tim; Coleman, Lee-Ann; Copeland, Jay; Das, Sudeshna; de Daruvar, Antoine; De Matos, Paula; Dix, Ian; Edmunds, Scott; Evelo, Chris T; Forster, Mark J; Gaudet, Pascale; Gilbert, Jack; Goble, Carole; Griffin, Julian L; Jacob, Daniel; Kleinjans, Jos; Harland, Lee; Haug, Kenneth; Hermjakob, Henning; Sui, Shannan J Ho; Laederach, Alain; Liang, Shaoguang; Marshall, Stephen; McGrath, Annette; Merrill, Emily; Reilly, Dorothy; Roux, Magali; Shamu, Caroline E; Shang, Catherine A; Steinbeck, Christoph; Trefethen, Anne; Williams-Jones, Bryn; Wolstencroft, Katherine; Xenarios, Ioannis; Hide, Winston

Toward interoperable bioscience data Journal Article

In: Nat Genet, vol. 44, no. 2, pp. 121–126, 2012.

Abstract | Links | BibTeX

Chepelev, Leonid L; Hastings, Janna; Ennis, Marcus; Steinbeck, Christoph; Dumontier, Michel

Self-organizing ontology of biochemically relevant small molecules. Journal Article

In: BMC Bioinformatics, vol. 13, no. 1, pp. 3, 2012.

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Hastings, Janna; Magka, Despoina; Batchelor, Colin; Duan, Lian; Stevens, Robert; Ennis, Marcus; Steinbeck, Christoph

Structure-based classification and ontology in chemistry. Journal Article

In: Journal of cheminformatics, vol. 4, no. 1, pp. 8, 2012.

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Alcantara, Rafael; Axelsen, Kristian B; Morgat, Anne; Belda, Eugeni; Coudert, Elisabeth; Bridge, Alan; Cao, Hong; De Matos, Paula; Ennis, Marcus; Turner, Steve; Owen, Gareth; Bougueleret, Lydie; Xenarios, Ioannis; Steinbeck, Christoph

Rhea--a manually curated resource of biochemical reactions. Journal Article

In: Nucleic Acids Research, vol. 40, no. Database issue, pp. D754–60, 2012.

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Jayaseelan, Kalai Vanii; Moreno, Pablo; Truszkowski, Andreas; Ertl, Peter; Steinbeck, Christoph

Natural product-likeness score revisited: an open-source, open-data implementation. Journal Article

In: BMC Bioinformatics, vol. 13, no. 1, pp. 106, 2012.

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Hastings, Janna; Josephs, Zara; Steinbeck, Christoph

Accessing and using chemical property databases. Journal Article

In: Methods in molecular biology (Clifton, N.J.), vol. 929, no. Chapter 9, pp. 193–219, 2012, ISBN: 978-1-62703-049-6.

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De Matos, Paula; Adams, Nico; Hastings, Janna; Moreno, Pablo; Steinbeck, Christoph

A database for chemical proteomics: ChEBI. Journal Article

In: Methods in molecular biology (Clifton, N.J.), vol. 803, no. Chapter 19, pp. 273–296, 2012, ISBN: 978-1-61779-363-9.

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2011

Orchard, Sandra; Al-Lazikani, Bissan; Bryant, Steve; Clark, Dominic; Calder, Elizabeth; Dix, Ian; Engkvist, Ola; Forster, Mark; Gaulton, Anna; Gilson, Michael; Glen, Robert; Grigorov, Martin; Hammond-Kosack, Kim; Harland, Lee; Hopkins, Andrew; Larminie, Christopher; Lynch, Nick; Mann, Romeena K; Murray-Rust, Peter; Lo Piparo, Elena; Southan, Christopher; Steinbeck, Christoph; Wishart, David; Hermjakob, Henning; Overington, John; Thornton, Janet

Minimum information about a bioactive entity (MIABE) Journal Article

In: Nature Reviews Drug Discovery, vol. 10, no. 9, pp. 661–669, 2011.

Abstract | Links | BibTeX

Hastings, J; Batchelor, C R; Steinbeck, C; Schulz, S

IOS Press Ebooks - Modularization Requirements in Bio-Ontologies: A Case Study of ChEbi Journal Article

In: WoMO, 2011.

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Griffin, Julian L; Atherton, Helen J; Steinbeck, Chris; Salek, Reza M

A Metadata description of the data in "A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human.". Journal Article

In: BMC Research Notes, vol. 4, no. 1, pp. 272, 2011.

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Hastings, Janna; Batchelor, Colin; Neuhaus, Fabian; Steinbeck, Christoph

Whattextquoterights in an textquoteleftis abouttextquoterightlink? Chemical diagrams and the IAO Journal Article

In: Proceedings of the International Conference on Biomedical Ontology (ICBO2011), Buffalo, USA, 2011.

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O'Boyle, Noel M; Guha, Rajarshi; Willighagen, Egon L; Adams, Samuel E; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V; Hanson, Robert M; Hanwell, Marcus D; Hutchison, Geoffrey R; James, Craig A; Jeliazkova, Nina; Lang, Andrew Sid; Langner, Karol M; Lonie, David C; Lowe, Daniel M; Pansanel, Jerome; Pavlov, Dmitry; Spjuth, Ola; Steinbeck, Christoph; Tenderholt, Adam L; Theisen, Kevin J; Murray-Rust, Peter

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. Journal Article

In: Journal of cheminformatics, vol. 3, no. 1, pp. 37, 2011.

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Truszkowski, Andreas; Jayaseelan, Kalai Vanii; Neumann, Stefan; Willighagen, Egon L; Zielesny, Achim; Steinbeck, Christoph

New developments on the cheminformatics open workflow environment CDK-Taverna. Journal Article

In: Journal of cheminformatics, vol. 3, no. 1, pp. 54, 2011.

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Hastings, Janna; Chepelev, Leonid; Willighagen, Egon; Adams, Nico; Steinbeck, Christoph; Dumontier, Michel

The chemical information ontology: provenance and disambiguation for chemical data on the biological semantic web. Journal Article

In: PLoS ONE, vol. 6, no. 10, pp. e25513, 2011.

Abstract | Links | BibTeX

2010

Apweiler, Rolf; Armstrong, Richard; Bairoch, Amos; Cornish-Bowden, Athel; Halling, Peter J; Hofmeyr, Jan-Hendrik S; Kettner, Carsten; Leyh, Thomas S; Rohwer, Johann; Schomburg, Dietmar; Steinbeck, Christoph; Tipton, Keith

A large-scale protein-function database. Journal Article

In: Nature Chemical Biology, vol. 6, no. 11, pp. 785–785, 2010.

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Hastings, Janna; Batchelor, Colin; Steinbeck, Christoph; Schulz, Stefan

What are chemical structures and their relations? Journal Article

In: pp. 257–270, 2010, ISBN: 978-1-60750-534-1.

Abstract | Links | BibTeX

Griffin, Julian L; Steinbeck, Christoph

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

In: Genome medicine, vol. 2, no. 6, pp. 38, 2010.

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Hastings, Janna; Dumontier, Michel; Hull, Duncan; Horridge, Matthew; Steinbeck, Christoph; Sattler, Ulrike; Stevens, Robert; Hörne, Tertia; Britz, Katarina

Representing chemicals using OWL, description graphs and rules Journal Article

In: CEUR Workshop Proceedings, vol. 614, 2010.

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Kuhn, Thomas; Willighagen, Egon L; Zielesny, Achim; Steinbeck, Christoph

CDK-Taverna: an open workflow environment for cheminformatics. Journal Article

In: BMC Bioinformatics, vol. 11, no. 1, pp. 159, 2010.

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De Matos, Paula; Alcantara, Rafael; Dekker, Adriano; Ennis, Marcus; Hastings, Janna; Haug, Kenneth; Spiteri, Inmaculada; Turner, Steve; Steinbeck, Christoph

Chemical Entities of Biological Interest: an update. Journal Article

In: Nucleic Acids Research, vol. 38, no. Database issue, pp. D249–54, 2010.

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Hastings, Janna; Steinbeck, Christoph; Jansen, Ludger; Schulz, Stefan

Substance concentrations as conditions for the realization of dispositions Journal Article

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

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Batchelor, Colin; Hastings, Janna; Steinbeck, Christoph

Ontological dependence, dispositions and institutional reality in chemistry Journal Article

In: Proceeding of the 2010 conference on Formal Ontology in Information Systems, pp. 271–284, 2010.

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2009

Rijnbeek, Mark; Steinbeck, Christoph

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

In: Journal of cheminformatics, vol. 1, no. 1, pp. 17, 2009.

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Spjuth, Ola; Alvarsson, Jonathan; Berg, Arvid; Eklund, Martin; Kuhn, Stefan; Masak, Carl; Torrance, Gilleain; Wagener, Johannes; Willighagen, Egon L; Steinbeck, Christoph; Wikberg, Jarl E S

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

In: BMC Bioinformatics, vol. 10, no. 1, pp. 397, 2009.

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2008

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

Performance validation of neural network based (13)c NMR prediction using a publicly available data source. Journal Article

In: Journal of Chemical Information and Modeling, vol. 48, no. 3, pp. 550–555, 2008.

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Kuhn, Stefan; Egert, Björn; Neumann, Steffen; Steinbeck, Christoph

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

In: BMC Bioinformatics, vol. 9, no. 1, pp. 400, 2008.

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

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

In: Journal of Chemical Information and Modeling, vol. 48, no. 3, pp. 550–555, 2008.

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2007

Kuhn, Stefan; Helmus, Tobias; Lancashire, Robert J; Murray-Rust, Peter; Rzepa, Henry S; Steinbeck, Christoph; Willighagen, Egon L

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

In: Journal of Chemical Information and Modeling, vol. 47, no. 6, pp. 2015–2034, 2007.

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

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

In: BMC Bioinformatics, vol. 8, no. 1, pp. 59, 2007.

Abstract | Links | BibTeX

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

Userscripts for the life sciences Journal Article

In: BMC Bioinformatics, vol. 8, no. 1, pp. 487, 2007.

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Schenk, Ang'ela; Xu, Zhongli; Pfeiffer, Corina; Steinbeck, Christoph; Hertweck, Christian

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

In: Angewandte Chemie. International Ed. in English, vol. 46, no. 37, pp. 7035–7038, 2007.

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2006

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

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

In: Current pharmaceutical design, vol. 12, no. 17, pp. 2111–2120, 2006.

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Hoppe, C; Steinbeck, C; Wohlfahrt, G

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

In: Journal of Molecular Graphics & Modelling, vol. 24, no. 5, pp. 328–340, 2006.

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

The Blue Obelisk - Interoperability in Chemical Informatics Journal Article

In: Journal of Chemical Information and Modeling, vol. 46, no. 3, pp. 991–998, 2006.

Abstract | Links | BibTeX

2005

Steinbeck, C; Kuhn, Stefan

Eine offene NMR-Datenbank Journal Article

In: Nachrichten Aus Der Chemie, vol. 53, pp. 1039–1040, 2005.

BibTeX

2004

Steinbeck, Christoph; Kuhn, Stefan

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

In: Phytochemistry, vol. 65, no. 19, pp. 2711–2717, 2004.

Abstract | Links | BibTeX

Steinbeck, C

Recent developments in automated structure elucidation of natural products Journal Article

In: Natural Product Reports, vol. 21, no. 4, pp. 512–518, 2004.

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Han, Y Q; Steinbeck, C

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

In: Journal of Chemical Information & Computer Sciences, vol. 44, no. 2, pp. 489–498, 2004.

Abstract | Links | BibTeX

2003

Steinbeck, C

Correlations between Chemical Structures and NMR Data Book Section

In: Gasteiger, Johann; Engel, Thomas (Ed.): pp. 1368–1377, John Wiley & Sons, Weinheim, 2003, ISBN: 3527618279.

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Steinbeck, C; Krause, S; Kuhn, S

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

In: Journal of Chemical Information & Computer Sciences, vol. 43, no. 6, pp. 1733–1739, 2003.

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

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

In: Journal of Chemical Information & Computer Sciences, vol. 43, no. 2, pp. 493–500, 2003.

Abstract | Links | BibTeX

Steinbeck, C

Correlations between Chemical Structures and NMR Data Book Section

In: pp. 1368–1377, John Wiley & Sons, Weinheim, 2003, ISBN: 3527618279.

Links | BibTeX

2001

Steinbeck, C

The automation of natural product structure elucidation. Journal Article

In: Current Opinion in Drug Discovery and Development, vol. 4, no. 3, pp. 338–342, 2001.

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

Further isoflavonoid metabolites from Millettia griffoniana (Bail) Journal Article

In: Phytochemistry, vol. 56, no. 4, pp. 363–368, 2001.

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Steinbeck, C

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

In: Journal of Chemical Information & Computer Sciences, vol. 41, no. 6, pp. 1500–1507, 2001.

Abstract | Links | BibTeX

163 entries « 3 of 4 »