117 entries « 1 of 3 »

2018

Pupier, Marion; Nuzillard, Jean Marc; Wist, Julien; Schlörer, Nils E; Kuhn, Stefan; Erdelyi, Mate; Steinbeck, Christoph; Williams, Antony J; Butts, Craig; Claridge, Tim D W; Mikhova, Bozhana; Robien, Wolfgang; Dashti, Hesam; Eghbalnia, Hamid R; `e, Christophe Far; Adam, Christian; Pavel, Kessler; Moriaud, Fabrice; Elyashberg, Mikhail; Argyropoulos, Dimitris; Pérez, Manuel; Giraudeau, Patrick; Gil, Roberto R; Trevorrow, Paul; Jeannerat, Damien

NMReDATA, a standard to report the NMR assignment and parameters of organic compounds Journal Article

Magnetic Resonance in Chemistry, 2018.

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Ritter, Marcel; Neupane, Sandesh; Seidel, Raphael A; Steinbeck, Christoph; Pohnert, Georg

In vivo and in vitro identification of Z-BOX C – a new bilirubin oxidation end product Journal Article

Organic & Biomolecular Chemistry, 6 , pp. 967, 2018.

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Peters, Kristian; Worrich, Anja; Weinhold, Alexander; Alka, Oliver; Balcke, Gerd; Birkemeyer, Claudia; Bruelheide, Helge; Calf, Onno; Dietz, Sophie; Dührkop, Kai; Gaquerel, Emmanuel; Heinig, Uwe; Kücklich, Marlen; Macel, Mirka; Müller, Caroline; Poeschl, Yvonne; Pohnert, Georg; Ristok, Christian; 'i, Victor Rodr; Ruttkies, Christoph; Schuman, Meredith; Schweiger, Rabea; Shahaf, Nir; Steinbeck, Christoph; Tortosa, Maria; Treutler, Hendrik; Ueberschaar, Nico; Velasco, Pablo; Weiß, Brigitte; Widdig, Anja; Neumann, Steffen; Dam, Nicole

Current Challenges in Plant Eco-Metabolomics Journal Article

International Journal of Molecular Sciences, 19 (5), pp. 1385, 2018.

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Guo, Huijuan; Benndorf, Rene; König, Stefanie; Leichnitz, Daniel; Weigel, Christiane; Peschel, Gundela; Berthel, Patrick; Kaiser, Marcel; Steinbeck, Christoph; Werz, Oliver; Poulsen, Michael; Beemelmanns, Christine

Expanding the Rubterolone Family - Intrinsic Reactivity and Directed Diversification of PKS-derived Pyrans Journal Article

Chemistry – A European Journal, 2018.

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McAlpine, James B; Chen, Shao-Nong; Kutateladze, Andrei; MacMillan, John B; Appendino, Giovanni; Barison, Andersson; Beniddir, Mehdi A; Biavatti, Maique W; Bluml, Stefan; Boufridi, Asmaa; Butler, Mark S; Capon, Robert J; Choi, Young H; Coppage, David; Crews, Phillip; Crimmins, Michael T; Csete, Marie; Dewapriya, Pradeep; Egan, Joseph M; Garson, Mary J; Genta-Jouve, Grégory; Gerwick, William H; Gross, Harald; Harper, Mary Kay; Hermanto, Precilia; Hook, James M; Hunter, Luke; Jeannerat, Damien; Ji, Nai-Yun; Johnson, Tyler A; Kingston, David G I; Koshino, Hiroyuki; Lee, Hsiau-Wei; Lewin, Guy; Li, Jie; Linington, Roger G; Liu, Miaomiao; McPhail, Kerry L; Molinski, Tadeusz F; Moore, Bradley S; Nam, Joo-Won; Neupane, Ram P; Niemitz, Matthias; Nuzillard, Jean Marc; Oberlies, Nicholas H; Ocampos, Fernanda M M; Pan, Guohui; Quinn, Ronald J; Reddy, Sai D; Renault, Jean-Hugues; Rivera-Chávez, José; Robien, Wolfgang; Saunders, Carla M; Schmidt, Thomas J; Seger, Christoph; Shen, Ben; Steinbeck, Christoph; Stuppner, Hermann; Sturm, Sonja; Taglialatela-Scafati, Orazio; Tantillo, Dean J; Verpoorte, Robert; Wang, Bin-Gui; Williams, Craig M; Williams, Philip G; Wist, Julien; Yue, Jian-Min; Zhang, Chen; Xu, Zhengren; Simmler, Charlotte; Lankin, David C; Bisson, Jonathan; Pauli, Guido F

The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research Journal Article

Natural Product Reports, 33 , pp. 1028, 2018.

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Peters, Kristian; Bradbury, James; Bergmann, Sven; Capuccini, Marco; Cascante, Marta; de Atauri, Pedro; Ebbels, Tim; Foguet, Carles; Glen, Robert; González-Beltrán, Alejandra; Handakas, Evangelos; Hankemeier, Thomas; Herman, Stephanie; Haug, Kenneth; Holub, Petr; Izzo, Massimiliano; Jacob, Daniel; Johnson, David; Jourdan, Fabien; Kale, Namrata; Karaman, Ibrahim; Khalili, Bita; Khoonsari, Payam Emami; Kultima, Kim; Lampa, Samuel; Larsson, Anders; Moreno, Pablo; Neumann, Steffen; Novella, Jon Ander; O'Donovan, Claire; Pearce, Jake TM; Peluso, Alina; Pireddu, Luca; Piras, Marco Enrico; Reed, Michelle AC; Rocca-Serra, Philippe; Roger, Pierrick; Rosato, Antonio; Rueedi, Rico; Ruttkies, Christoph; Sadawi, Noureddin; Salek, Reza; Sansone, Susanna-Assunta; Selivanov, Vitaly; Spjuth, Ola; Schober, Daniel; Thévenot, Etienne A; Tomasoni, Mattia; van Rijswijk, Merlijn; van Vliet, Michael; Viant, Mark; Weber, Ralf; Zanetti, Gianluigi; Steinbeck, Christoph

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud Journal Article

bioRxiv, pp. 409151, 2018.

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2017

Spicer, Rachel A; Salek, Reza; Steinbeck, Christoph

A decade after the metabolomics standards initiative it's time for a revision Journal Article

Scientific Data, 4 , pp. sdata2017138, 2017.

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van Rijswijk, Merlijn; Beirnaert, Charlie; Caron, Christophe; Cascante, Marta; Dominguez, Victoria; Dunn, Warwick B; Ebbels, Timothy M D; Giacomoni, Franck; González-Beltrán, Alejandra; Hankemeier, Thomas; Haug, Kenneth; Izquierdo-Garcia, Jose L; Jiménez, Rafael C; Jourdan, Fabien; Kale, Namrata; Klapa, Maria I; Kohlbacher, Oliver; Koort, Kairi; Kultima, Kim; Corguillé, Gildas Le; Moschonas, Nicholas K; Neumann, Steffen; O'Donovan, Claire; Reczko, Martin; Rocca-Serra, Philippe; Rosato, Antonio; Salek, Reza M; Sansone, Susanna-Assunta; Satagopam, Venkata; Schober, Daniel; Shimmo, Ruth; Spicer, Rachel A; Spjuth, Ola; Thévenot, Etienne A; Viant, Mark R; Weber, Ralf J M; Willighagen, Egon L; Zanetti, Gianluigi; Steinbeck, Christoph

The future of metabolomics in ELIXIR Journal Article

F1000Research, 6 , pp. 1649, 2017.

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Spicer, Rachel ; Salek, Reza M; Moreno, Pablo ; Cañueto, Daniel ; Steinbeck, Christoph

Navigating freely-available software tools for metabolomics analysis Journal Article

Metabolomics, 13 (9), pp. 106, 2017.

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Pèrez-Riverol, Yasset ; Bai, Mingze ; da Veiga Leprevost, Felipe ; Squizzato, Silvano ; Park, Young Mi ; Haug, Kenneth ; Carroll, Adam J; Spalding, Dylan ; Paschall, Justin ; Wang, Mingxun ; Del-Toro, Noemi ; Ternent, Tobias ; Zhang, Peng ; Buso, Nicola ; Bandeira, Nuno ; Deutsch, Eric W; Campbell, David S; Beavis, Ronald C; Salek, Reza M; Sarkans, Ugis ; Petryszak, Robert ; Keays, Maria ; Fahy, Eoin ; Sud, Manish ; Subramaniam, Shankar ; Barbera, Ariana ; Jim{'e}nez, Rafael C; Nesvizhskii, Alexey I; Sansone, Susanna-Assunta ; Steinbeck, Christoph ; Lopez, Rodrigo ; Vizca{'i}no, Juan A; Ping, Peipei ; Hermjakob, Henning

Discovering and linking public omics data sets using the Omics Discovery Index Journal Article

Nature Biotechnology, 35 (5), pp. 406–409, 2017.

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

Global open data management in metabolomics. Journal Article

Current Opinion in Chemical Biology, 36 , pp. 58–63, 2017.

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Larralde, Martin ; Lawson, Thomas N; Weber, Ralf J M; Moreno, Pablo ; Haug, Kenneth ; Rocca-Serra, Philippe ; Viant, Mark R; Steinbeck, Christoph ; Salek, Reza M

mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data. Journal Article

Bioinformatics, 2017.

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Willighagen, Egon L; Mayfield, John W; Alvarsson, Jonathan ; Berg, Arvid ; Carlsson, Lars ; Jeliazkova, Nina ; Kuhn, Stefan ; Pluskal, Tomás ; Rojas-Chertó, Miquel ; Spjuth, Ola ; Torrance, Gilleain ; Evelo, Chris T; Guha, Rajarshi ; Steinbeck, Christoph

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching Journal Article

Journal of cheminformatics, 9 (1), pp. 33, 2017.

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Hastings, Janna ; Steinbeck, Christoph

Ontologies in Chemoinformatics Incollection

Handbook of Computational Chemistry, pp. 2163–2181, Springer International Publishing, Cham, 2017, ISBN: 978-3-319-27281-8.

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Weber, Ralf J M; Lawson, Thomas N; Salek, Reza M; Ebbels, Timothy M D; Glen, Robert C; Goodacre, Royston ; Griffin, Julian L; Haug, Kenneth ; Koulman, Albert ; Moreno, Pablo ; Ralser, Markus ; Steinbeck, Christoph ; Dunn, Warwick B; Viant, Mark R

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy. Journal Article

Metabolomics, 13 (2), pp. 12, 2017.

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Salek, Reza M; Conesa, Pablo; Cochrane, Keeva; Haug, Kenneth; Williams, Mark; Kale, Namrata; Moreno, Pablo; Jayaseelan, Kalai; Macias, Jose Ramon; Nainala, Venkata Chandrasekhar; Hall, Robert D; Reed, Laura K; Viant, Mark R; O'Donovan, Claire; Steinbeck, Christoph

Automated Assembly of Species Metabolomes through Data Submission into a Public Repository Journal Article

GigaScience, 2017.

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Spicer, Rachel A; Salek, Reza; Steinbeck, Christoph

Compliance with minimum information guidelines in public metabolomics repositories Journal Article

Scientific Data, 4 , pp. sdata2017137, 2017.

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Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph A; Marcu, Ana; Grant, Jason R; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis F; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy M D; Hao, Jie; Ludwig, Christian; Günther, Ulrich L; Rosato, Antonio; Klein, Matthias S; Lewis, Ian A; Luchinat, Claudio; Jones, Andrew R; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian L; Viant, Mark R; Wishart, David S; Steinbeck, Christoph; Salek, Reza M; Neumann, Steffen

nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data Journal Article

Analytical Chemistry, 90 (1), pp. 649–656, 2017.

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Khoonsari, Payam Emami; Moreno, Pablo; Bergmann, Sven; Burman, Joachim; Capuccini, Marco; Carone, Matteo; Cascante, Marta; de Atauri, Pedro; Foguet, Carles; González-Beltrán, Alejandra; Hankemeier, Thomas; Haug, Kenneth; He, Sijin; Herman, Stephanie; Johnson, David; Kale, Namrata; Larsson, Anders; Neumann, Steffen; Peters, Kristian; Pireddu, Luca; Rocca-Serra, Philippe; Roger, Pierrick; Rueedi, Rico; Ruttkies, Christoph; Sadawi, Noureddin; Salek, Reza M; Sansone, Susanna-Assunta; Schober, Daniel; Selivanov, Vitaly; Thévenot, Etienne A; van Vliet, Michael; Zanetti, Gianluigi; Steinbeck, Christoph; Kultima, Kim; Spjuth, Ola

Interoperable and scalable metabolomics data analysis with microservices Journal Article

bioRxiv, pp. 213603, 2017.

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Spicer, Rachel A; Steinbeck, Christoph

A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it Journal Article

Metabolomics, 14 (1), pp. 16, 2017.

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2016

Feunang, Yannick Djoumbou ; Eisner, Roman ; Knox, Craig ; Chepelev, Leonid ; Hastings, Janna ; Owen, Gareth ; Fahy, Eoin ; Steinbeck, Christoph ; Subramanian, Shankar ; Bolton, Evan ; Greiner, Russell ; Wishart, David S

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy Journal Article

Journal of cheminformatics, 8 (1), pp. 61, 2016.

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Swainston, Neil ; Hastings, Janna ; Dekker, Adriano ; Muthukrishnan, Venkatesh ; May, John ; Steinbeck, Christoph ; Mendes, Pedro

libChEBI: an API for accessing the ChEBI database Journal Article

Journal of cheminformatics, 8 (1), pp. 1, 2016.

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Rahman, Syed Asad ; Torrance, Gilliean ; Baldacci, Lorenzo ; Cuesta, Sergio Mart{'i}nez ; Fenninger, Franz ; Gopal, Nimish ; Choudhary, Saket ; May, John W; Holliday, Gemma L; Steinbeck, Christoph ; Thornton, Janet M

Reaction Decoder Tool (RDT): extracting features from chemical reactions Journal Article

Bioinformatics, 32 (13), pp. btw096–2066, 2016.

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Emwas, Abdul-Hamid ; Roy, Raja ; McKay, Ryan T; Ryan, Danielle ; Brennan, Lorraine ; Tenori, Leonardo ; Luchinat, Claudio ; Gao, Xin ; Zeri, Ana Carolina ; Gowda, Nagana G A; Raftery, Daniel ; Steinbeck, Christoph ; Salek, Reza M; Wishart, David S

Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis Journal Article

Journal of Proteome Research, 15 (2), pp. acs.jproteome.5b00885–373, 2016.

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Levin, N; Salek, R M; Steinbeck, C

From Databases to Big Data Journal Article

Metabolic Phenotyping in łdots, 2016.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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117 entries « 1 of 3 »