Egon L. Willighagen

Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund: Bioclipse-R: integrating management and visualization of life science data with statistical analysis. Bioinformatics 29(2): 286-289 (2013)

Ola Spjuth, Arvid Berg, Samuel Adams, Egon L. Willighagen: Applications of the InChI in cheminformatics with the CDK and Bioclipse. J. Cheminformatics 5: 14 (2013)

Jörg K. Wegner, Aaron Sterling, Rajarshi Guha, Andreas Bender, Jean-Loup Faulon, Janna Hastings, Noel M. O'Boyle, John P. Overington, Herman van Vlijmen, Egon L. Willighagen: Cheminformatics. Commun. ACM 55(11): 65-75 (2012)

Cameron Neylon, Jan Aerts, C. Brown, Simon J. Coles, Les Hatton, Daniel Lemire, K. Millman, Peter Murray-Rust, Fernando Perez, Neil F. W. Saunders, Nigam Shah, Arfon Smith, Gaël Varoquaux, Egon L. Willighagen: Changing computational research. The challenges ahead. Source Code for Biology and Medicine 7: 2 (2012)

M. Scott Marshall, Richard Boyce, Helena F. Deus, Jun Zhao, Egon L. Willighagen, Matthias Samwald, Elgar Pichler, Janos Hajagos, Eric Prud'hommeaux, Susie Stephens: Emerging practices for mapping and linking life sciences data using RDF - A case series. J. Web Sem. 14: 2-13 (2012)

Miguel Rojas-Chertó, Piotr T. Kasper, Egon L. Willighagen, Rob J. Vreeken, Thomas Hankemeier, Theo H. Reijmers: Elemental composition determination based on MSⁿ. Bioinformatics 27(17): 2376-2383 (2011)

Egon L. Willighagen, Martin P. Brändle: Resource description framework technologies in chemistry. J. Cheminformatics 3: 15 (2011)

Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Kallesøe, Egon L. Willighagen, Janos Hajagos, M. Scott Marshall, Eric Prud'hommeaux, Oktie Hassanzadeh, Elgar Pichler, Susie Stephens: Linked open drug data for pharmaceutical research and development. J. Cheminformatics 3: 19 (2011)

Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust: Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3: 37 (2011)

David M. Jessop, Sam E. Adams, Egon L. Willighagen, Lezan Hawizy, Peter Murray-Rust: OSCAR4: a flexible architecture for chemical text-mining. J. Cheminformatics 3: 41 (2011)

Andreas Truszkowski, Kalai Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck: New developments on the cheminformatics open workflow environment CDK-Taverna. J. Cheminformatics 3: 54 (2011)

Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon L. Willighagen, Tobias Kind, Oliver Fiehn: The Chemical Translation Service - a web-based tool to improve standardization of metabolomic reports. Bioinformatics 26(20): 2647-2648 (2010)

Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck: CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinformatics 11: 159 (2010)

Ola Spjuth, Egon L. Willighagen, Rajarshi Guha, Martin Eklund, Jarl E. S. Wikberg: Towards interoperable and reproducible QSAR analyses: Exchange of datasets. J. Cheminformatics 2: 5 (2010)

Johannes Wagener, Ola Spjuth, Egon L. Willighagen, Jarl E. S. Wikberg: XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services. BMC Bioinformatics 10: 279 (2009)

Ola Spjuth, Jonathan Alvarsson, Arvid Berg, Martin Eklund, Stefan Kuhn, Carl Mäsak, Gilleain M. Torrance, Johannes Wagener, Egon L. Willighagen, Christoph Steinbeck, Jarl E. S. Wikberg: Bioclipse 2: A scriptable integration platform for the life sciences. BMC Bioinformatics 10: 397 (2009)

Egon L. Willighagen, Jarl E. S. Wikberg: Linking Open Drug Data to Cheminformatics and Proteochemometrics. SWAT4LS 2009

Ola Spjuth, Tobias Helmus, Egon L. Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter Murray-Rust, Christoph Steinbeck, Jarl E. S. Wikberg: Bioclipse: an open source workbench for chemo- and bioinformatics. BMC Bioinformatics 8 (2007)

Egon L. Willighagen, Noel M. O'Boyle, Harini Gopalakrishnan, Dazhi Jiao, Rajarshi Guha, Christoph Steinbeck, David J. Wild: Userscripts for the Life Sciences. BMC Bioinformatics 8 (2007)

Egon L. Willighagen, H. M. G. W. Denissen, Ron Wehrens, Lutgarde M. C. Buydens: On the Use of ¹H and ¹³C 1D NMR Spectra as QSPR Descriptors. Journal of Chemical Information and Modeling 46(2): 487-494 (2006)

Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen: The Blue Obelisk-Interoperability in Chemical Informatics. Journal of Chemical Information and Modeling 46(3): 991-998 (2006)

Peter Murray-Rust, Henry S. Rzepa, Mark J. Williamson, Egon L. Willighagen: Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators. Journal of Chemical Information and Modeling 44(2): 462-469 (2004)

Christoph Steinbeck, Yongquan Han, Stefan Kuhn, Oliver Horlacher, Edgar Luttmann, Egon L. Willighagen: The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics. Journal of Chemical Information and Computer Sciences 43(2): 493-500 (2003)