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

143 entries « 2 of 3 »

2016

Wohlgemuth, Gert ; Mehta, Sajjan S; Mejia, Ramon F; Neumann, Steffen ; Pedrosa, Diego ; s} Pluskal, Tom{'a}{v ; Schymanski, Emma L; Willighagen, Egon L; Wilson, Michael ; Wishart, David S; Arita, Masanori ; Dorrestein, Pieter C; Bandeira, Nuno ; Wang, Mingxun ; Schulze, Tobias ; Salek, Reza M; Steinbeck, Christoph ; Nainala, Venkata Chandrasekhar ; Mistrik, Robert ; Nishioka, Takaaki ; Fiehn, Oliver

SPLASH, a hashed identifier for mass spectra Journal Article

Nature Biotechnology, 34 (11), pp. 1099–1101, 2016.

Abstract | Links | BibTeX

Kale, Namrata S; Haug, Kenneth ; Conesa, Pablo ; Jayseelan, Kalaivani ; Moreno, Pablo ; Rocca-Serra, Philippe ; Nainala, Venkata Chandrasekhar ; Spicer, Rachel A; Williams, Mark ; Li, Xuefei ; Salek, Reza M; Griffin, Julian L; Steinbeck, Christoph

MetaboLights: An Open-Access Database Repository for Metabolomics Data. Journal Article

Current protocols in bioinformatics / editoral board, Andreas D. Baxevanis ... [et al.], 53 , pp. 14.13.1–14.13.18, 2016, ISSN: 1934-340X.

Abstract | Links | BibTeX

Edison, Arthur S; Hall, Robert D; Junot, Christophe ; Karp, Peter D; Kurland, Irwin J; Mistrik, Robert ; Reed, Laura K; Saito, Kazuki ; Salek, Reza M; Steinbeck, Christoph ; Sumner, Lloyd W; Viant, Mark R

The Time Is Right to Focus on Model Organism Metabolomes. Journal Article

Metabolites, 6 (1), pp. 8, 2016.

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2015

Rocca-Serra, Philippe ; Salek, Reza M; Arita, Masanori ; Correa, Elon ; Dayalan, Saravanan ; Gonz{'a}lez-Beltr{'a}n, Alejandra ; Ebbels, Tim ; Goodacre, Royston ; Hastings, Janna ; Haug, Kenneth ; Koulman, Albert ; Nikolski, Macha ; Oresic, Matej ; Sansone, Susanna-Assunta ; Schober, Daniel ; Smith, James ; Steinbeck, Christoph ; Viant, Mark R; Neumann, Steffen

Data standards can boost metabolomics research, and if there is a will, there is a way Journal Article

Metabolomics, 12 (1), pp. 1–13, 2015.

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Hastings, Janna ; Owen, Gareth ; Dekker, Adriano ; Ennis, Marcus ; Kale, Namrata ; Muthukrishnan, Venkatesh ; Turner, Steve ; Swainston, Neil ; Mendes, Pedro ; Steinbeck, Christoph

ChEBI in 2016: Improved services and an expanding collection of metabolites. Journal Article

Nucleic Acids Research, 44 (D1), pp. gkv1031–D1219, 2015.

Abstract | Links | BibTeX

Beisken, Stephan ; Conesa, Pablo ; Haug, Kenneth ; Salek, Reza M; Steinbeck, Christoph

SpeckTackle: JavaScript charts for spectroscopy. Journal Article

Journal of cheminformatics, 7 (1), pp. 17, 2015.

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Moreno, Pablo ; Beisken, Stephan ; Harsha, Bhavana ; Muthukrishnan, Venkatesh ; Tudose, Ilinca ; Dekker, Adriano ; Dornfeldt, Stefanie ; Taruttis, Franziska ; Grosse, Ivo ; Hastings, Janna ; Neumann, Steffen ; Steinbeck, Christoph

BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology Journal Article

BMC Bioinformatics, 16 (1), pp. 56, 2015.

Abstract | Links | BibTeX

Salek, Reza M; Neumann, Steffen ; Schober, Daniel ; Hummel, Jan ; Billiau, Kenny ; Kopka, Joachim ; Correa, Elon ; Reijmers, Theo ; Rosato, Antonio ; Tenori, Leonardo ; Turano, Paola ; Marin, Silvia ; Deborde, Catherine ; Jacob, Daniel ; Rolin, Dominique ; Dartigues, Benjamin ; Conesa, Pablo ; Haug, Kenneth ; Rocca-Serra, Philippe ; O'Hagan, Steve ; Hao, Jie ; van Vliet, Michael ; Sysi-Aho, Marko ; Ludwig, Christian ; Bouwman, Jildau ; Cascante, Marta ; Ebbels, Timothy ; Griffin, Julian L; Moing, Annick ; Nikolski, Macha ; Oresic, Matej ; Sansone, Susanna-Assunta ; Viant, Mark R; Goodacre, Royston ; Günther, Ulrich L; Hankemeier, Thomas ; Luchinat, Claudio ; Walther, Dirk ; Steinbeck, Christoph

COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access Journal Article

Metabolomics, 11 (6), pp. 1–11, 2015.

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Hastings, Janna ; Jeliazkova, Nina ; Owen, Gareth ; Tsiliki, Georgia ; Munteanu, Cristian R; Steinbeck, Christoph ; Willighagen, Egon

eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment. Journal Article

Journal of biomedical semantics, 6 (1), pp. 10, 2015.

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Morgat, Anne ; Axelsen, Kristian B; Lombardot, Thierry ; Alcantara, Rafael ; Aimo, Lucila ; Zerara, Mohamed ; Niknejad, Anne ; Belda, Eugeni ; Hyka-Nouspikel, Nevila ; Coudert, Elisabeth ; Redaschi, Nicole ; Bougueleret, Lydie ; Steinbeck, Christoph ; Xenarios, Ioannis ; Bridge, Alan

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

Nucleic Acids Research, 43 (Database issue), pp. D459–64, 2015.

Abstract | Links | BibTeX

2014

Griss, Johannes ; Jones, Andrew R; Sachsenberg, Timo ; Walzer, Mathias ; Gatto, Laurent ; Hartler, J{ü}rgen ; Thallinger, Gerhard G; Salek, Reza M; Steinbeck, Christoph ; Neuhauser, Nadin ; Cox, J{ü}rgen ; Neumann, Steffen ; Fan, Jun ; Reisinger, Florian ; Xu, Qing-Wei ; Del-Toro, Noemi ; P{'e}rez-Riverol, Yasset ; Ghali, Fawaz ; Bandeira, Nuno ; Xenarios, Ioannis ; Kohlbacher, Oliver ; Vizca{'i}no, Juan Antonio ; Hermjakob, Henning

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

Molecular & Cellular Proteomics, 13 (10), pp. 2765–2775, 2014.

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Beisken, Stephan ; Earll, Mark ; Baxter, Charles ; Portwood, David ; Ament, Zsuzsanna ; Kende, Aniko ; Hodgman, Charlie ; Seymour, Graham ; Smith, Rebecca ; Fraser, Paul ; Seymour, Mark ; Salek, Reza M; Steinbeck, Christoph

Metabolic differences in ripening of Solanum lycopersicum textquoteleftAilsa Craigtextquoteright and three monogenic mutants Journal Article

Scientific Data, 1 , pp. 140029, 2014.

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Beisken, Stephan ; Earll, Mark ; Portwood, David ; Seymour, Mark ; Steinbeck, Christoph

MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics. Journal Article

Molecular Informatics, 33 (4), pp. 307–310, 2014.

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Rueedi, Rico ; Ledda, Mirko ; Nicholls, Andrew W; Salek, Reza M; Marques-Vidal, Pedro ; Morya, Edgard ; Sameshima, Koichi ; Montoliu, Ivan ; Da Silva, Laeticia ; Collino, Sebastiano ; c}ois-Pierre Martin, Fran{c ; Rezzi, Serge ; Steinbeck, Christoph ; Waterworth, Dawn M; Waeber, G{'e}rard ; Vollenweider, Peter ; Beckmann, Jacques S; Le Coutre, Johannes ; Mooser, Vincent ; Bergmann, Sven ; Genick, Ulrich K; Kutalik, Zolt{'a}n

Genome-wide association study of metabolic traits reveals novel gene-metabolite-disease links. Journal Article

PLoS Genetics, 10 (2), pp. e1004132, 2014.

Abstract | Links | BibTeX

Truszkowski, Andreas ; Daniel, Mirco ; Kuhn, Hubert ; Neumann, Stefan ; Steinbeck, Christoph ; Zielesny, Achim ; Epple, Matthias

A molecular fragment cheminformatics roadmap for mesoscopic simulation. Journal Article

Journal of cheminformatics, 6 (1), pp. 45, 2014.

Abstract | Links | BibTeX

Jayaseelan, Kalai Vanii ; Steinbeck, Christoph

Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking. Journal Article

BMC Bioinformatics, 15 (1), pp. 234, 2014.

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Tipton, Keith F; Armstrong, Richard N; Bakker, Barbara M; Bairoch, Amos ; Cornish-Bowden, Athel ; Halling, Peter J; Hofmeyr, Jan-Hendrik ; Leyh, Thomas S; Kettner, Carsten ; Raushel, Frank M; Rohwer, Johann ; Schomburg, Dietmar ; Steinbeck, Christoph

Standards for Reporting Enzyme Data: The STRENDA Consortium: What it aims to do and why it should be helpful Journal Article

Perspectives in Science, 1 (1-6), pp. 131–137, 2014.

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Hastings, Janna ; Haug, Kenneth ; Steinbeck, Christoph

Ten recommendations for software engineering in research. Journal Article

GigaScience, 3 (1), pp. 31, 2014.

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May, John W; Steinbeck, Christoph

Efficient ring perception for the Chemistry Development Kit. Journal Article

Journal of cheminformatics, 6 (1), pp. 3, 2014.

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Venkata, Chandrasekhar ; Forster, Mark J; Howe, Peter W A; Steinbeck, Christoph

The potential utility of predicted one bond carbon-proton coupling constants in the structure elucidation of small organic molecules by NMR spectroscopy. Journal Article

PLoS ONE, 9 (11), pp. e111576, 2014.

Abstract | Links | BibTeX

2013

Tudose, Ilinca ; Hastings, Janna ; Muthukrishnan, Venkatesh ; Owen, Gareth ; Turner, Steve ; Dekker, Adriano ; Kale, Namrata ; Ennis, Marcus ; Steinbeck, Christoph

OntoQuery: easy-to-use web-based OWL querying. Journal Article

Bioinformatics, 29 (22), pp. 2955–2957, 2013.

Abstract | Links | BibTeX

Hastings, Janna ; Steinbeck, Christoph

Chemical Ontologies for Standardization, Knowledge Discovery, and Data Mining Book

Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2013, ISBN: 9783527655984.

Links | BibTeX

Beisken, Stephan ; Meinl, Thorsten ; Wiswedel, Bernd ; de Figueiredo, Luis F; Berthold, Michael ; Steinbeck, Christoph

KNIME-CDK: Workflow-driven cheminformatics Journal Article

BMC Bioinformatics, 14 (1), pp. 257, 2013.

Abstract | Links | BibTeX

Salek, Reza M; Steinbeck, Christoph ; Viant, Mark R; Goodacre, Royston ; Dunn, Warwick B

The role of reporting standards for metabolite annotation and identification in metabolomic studies Journal Article

GigaScience, 2 (1), pp. 13, 2013.

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Haug, Kenneth ; Salek, Reza M; Conesa, Pablo ; Hastings, Janna ; De Matos, Paula ; Rijnbeek, Mark ; Mahendraker, Tejasvi ; Williams, Mark ; Neumann, Steffen ; Rocca-Serra, Philippe ; Maguire, Eamonn ; Gonz{'a}lez-Beltr{'a}n, Alejandra ; Sansone, Susanna-Assunta ; Griffin, Julian L; Steinbeck, Christoph

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

Nucleic Acids Research, 41 (Database issue), pp. D781–6, 2013.

Abstract | Links | BibTeX

Alcantara, Rafael ; Onwubiko, Joseph ; Cao, Hong ; de Matos, Paula ; Cham, Jennifer A; Jacobsen, Jules ; Holliday, Gemma L; Fischer, Julia D; Rahman, Syed Asad ; Jassal, Bijay ; Goujon, Mikael ; Rowland, Francis ; Velankar, Sameer ; Lopez, Rodrigo ; Overington, John P; Kleywegt, Gerard J; Hermjakob, Henning ; O'Donovan, Claire ; Mart{'i}n, Mar{'i}a Jes{'u}s ; Thornton, Janet M; Steinbeck, Christoph

The EBI enzyme portal. Journal Article

Nucleic Acids Research, 41 (Database issue), pp. D773–80, 2013.

Abstract | Links | BibTeX

May, John W; James, Gordon A; Steinbeck, Christoph

Metingear: a development environment for annotating genome-scale metabolic models. Journal Article

Bioinformatics, 29 (17), pp. 2213–2215, 2013.

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Salek, Reza M; Haug, Kenneth ; Steinbeck, Christoph

Dissemination of metabolomics results: role of MetaboLights and COSMOS. Journal Article

GigaScience, 2 (1), pp. 8, 2013.

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Salek, R M; Haug, K; Conesa, P; Hastings, J K; Williams, M; Steinbeck, C; Sansone, S A; Mahendraker, T; Maguire, E; Gonzalez-Beltran, A; Rocca-Serra, P

The MetaboLights repository: curation challenges in metabolomics Journal Article

Database: The Journal of Biological Databases and Curation, 2013 (0), pp. bat029–bat029, 2013.

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Hill, David P; Adams, Nico ; Bada, Mike ; Batchelor, Colin ; Berardini, Tanya Z; Dietze, Heiko ; Drabkin, Harold J; Ennis, Marcus ; Foulger, Rebecca E; Harris, Midori A; Hastings, Janna ; Kale, Namrata S; De Matos, Paula ; Mungall, Christopher J; Owen, Gareth ; Roncaglia, Paola ; Steinbeck, Christoph ; Turner, Steve ; Lomax, Jane

Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology. Journal Article

BMC Genomics, 14 (1), pp. 513, 2013.

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Hastings, Janna ; De Matos, Paula ; Dekker, Adriano ; Ennis, Marcus ; Harsha, Bhavana ; Kale, Namrata ; Muthukrishnan, Venkatesh ; Owen, Gareth ; Turner, Steve ; Williams, Mark ; Steinbeck, Christoph

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Journal Article

Nucleic Acids Research, 41 (Database issue), pp. D456–63, 2013.

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Foster, Joseph M; Moreno, Pablo ; Fabregat, Antonio ; Hermjakob, Henning ; Steinbeck, Christoph ; Apweiler, Rolf ; Wakelam, Michael J O; Vizca{'i}no, Juan Antonio

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

PLoS ONE, 8 (5), pp. e61951, 2013.

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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

BMC Bioinformatics, 14 (1), pp. 103, 2013.

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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 ; G{ü}nther, 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 ; W{ü}thrich, Kurt ; Yokoyama, Shigeyuki

In support of the BMRB. Journal Article

Nature structural & molecular biology, 19 (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

Metabolomics, 8 (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

PLoS Computational Biology, 8 (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 Ho J; 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

Nat Genet, 44 (2), pp. 121–126, 2012.

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

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

BMC Bioinformatics, 13 (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

Journal of cheminformatics, 4 (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

Nucleic Acids Research, 40 (Database issue), pp. D754–60, 2012.

Abstract | Links | BibTeX

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

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

BMC Bioinformatics, 13 (1), pp. 106, 2012.

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Hastings, Janna ; Josephs, Zara ; Steinbeck, Christoph

Accessing and using chemical property databases. Journal Article

Methods in molecular biology (Clifton, N.J.), 929 (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

Methods in molecular biology (Clifton, N.J.), 803 (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

Nature Reviews Drug Discovery, 10 (9), pp. 661–669, 2011.

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

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

WoMO, 2011.

Abstract | Links | BibTeX

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

BMC Research Notes, 4 (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

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

Journal of cheminformatics, 3 (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

Journal of cheminformatics, 3 (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

PLoS ONE, 6 (10), pp. e25513, 2011.

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143 entries « 2 of 3 »