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ORCIDEgon L. Willighagen
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- affiliation: Maastricht University, The Netherlands
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2020 – today
- 2024
[j56]Jeaphianne P. M. van Rijn
, Marvin Martens, Ammar Ammar, Mihaela Roxana Cimpan, Valerie Fessard, Peter Hoet, Nina Jeliazkova, Sivakumar Murugadoss, Ivana Vinkovic Vrcek, Egon L. Willighagen:
From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials. J. Cheminformatics 16(1): 49 (2024)- 2023
- [j55]Egon L. Willighagen:
Two years of explicit CiTO annotations. J. Cheminformatics 15(1): 14 (2023) - [j54]Ammar Ammar, Rachel Cavill, Chris T. A. Evelo, Egon L. Willighagen:
PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity. J. Cheminformatics 15(1): 31 (2023) - 2022
- [j53]Ammar Ammar, Rachel Cavill, Chris T. A. Evelo, Egon L. Willighagen:
PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflow. J. Cheminformatics 14(1): 8 (2022) - [j52]Jeaphianne P. M. van Rijn, Antreas Afantitis, Mustafa Culha, Maria Dusinska, Thomas E. Exner, Nina Jeliazkova, Eleonora Marta Longhin, Iseult Lynch, Georgia Melagraki, Penny Nymark, Anastasios G. Papadiamantis, David A. Winkler, Hulya Yilmaz, Egon L. Willighagen:
European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials. J. Cheminformatics 14(1): 57 (2022) - [j51]Andrea Jacobs, Dustin Williams, Katherine Hickey, Nathan Patrick, Antony J. Williams, Stuart J. Chalk, Leah McEwen, Egon L. Willighagen, Martin Walker, Evan Bolton, Gabriel Sinclair, Adam Sanford:
CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community. J. Chem. Inf. Model. 62(11): 2737-2743 (2022) - [j50]Gabriel Sinclair, Inthirany Thillainadarajah, Brian Meyer, Vicente Samano, Sakuntala Sivasupramaniam, Linda Adams, Egon L. Willighagen, Ann M. Richard, Martin Walker, Antony J. Williams:
Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data. J. Chem. Inf. Model. 62(20): 4888-4905 (2022) - [j49]Birgit H. M. Meldal, Livia Perfetto, Colin W. Combe, Tiago Lubiana, João Vitor Ferreira Cavalcante, Hema Bye-A-Jee, Andra Waagmeester, Noemi del-Toro, Anjali Shrivastava, Elisabet Barrera, Edith D. Wong, Bernhard Mlecnik, Gabriela Bindea, Kalpana Panneerselvam, Egon L. Willighagen, Juri Rappsilber, Pablo Porras, Henning Hermjakob, Sandra E. Orchard:
Complex Portal 2022: new curation frontiers. Nucleic Acids Res. 50(D1): 578-586 (2022) - 2021
- [j48]Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova:
What is the role of cheminformatics in a pandemic? J. Cheminformatics 13(1): 16 (2021) - [j47]Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil:
Reply to "FAIR chemical structure in the Journal of Cheminformatics". J. Cheminformatics 13(1): 49 (2021) - [j46]Egon L. Willighagen:
Bacting: a next generation, command line version of Bioclipse. J. Open Source Softw. 6(62): 2558 (2021) - [j45]Marvin Martens, Ammar Ammar, Anders Riutta, Andra Waagmeester, Denise N. Slenter, Kristina Hanspers, Ryan A. Miller, Daniela Digles, Elisson N. Lopes, Friederike Ehrhart, Lauren J. Dupuis, Laurent A. Winckers, Susan L. Coort, Egon L. Willighagen, Chris T. A. Evelo, Alexander R. Pico, Martina Kutmon:
WikiPathways: connecting communities. Nucleic Acids Res. 49(Database-Issue): D613-D621 (2021) - [j44]Kristina Hanspers, Martina Kutmon, Susan L. Coort, Daniela Digles, Lauren J. Dupuis, Friederike Ehrhart, Finterly Hu, Elisson N. Lopes, Marvin Martens, Nhung Pham, Woosub Shin, Denise N. Slenter, Andra Waagmeester, Egon L. Willighagen, Laurent A. Winckers, Chris T. A. Evelo, Alexander R. Pico:
Ten simple rules for creating reusable pathway models for computational analysis and visualization. PLoS Comput. Biol. 17(8) (2021) - 2020
- [j43]Annika Jacobsen, Ricardo de Miranda Azevedo, Nick S. Juty, Dominique Batista, Simon J. Coles, Ronald Cornet, Mélanie Courtot, Mercè Crosas, Michel Dumontier, Chris T. A. Evelo, Carole A. Goble, Giancarlo Guizzardi, Karsten Kryger Hansen, Ali Hasnain, Kristina M. Hettne, Jaap Heringa, Rob W. W. Hooft, Melanie Imming, Keith G. Jeffery, Rajaram Kaliyaperumal, Martijn G. Kersloot, Christine R. Kirkpatrick, Tobias Kuhn, Ignasi Labastida, Barbara Magagna, Peter McQuilton, Natalie Meyers, Annalisa Montesanti, Mirjam van Reisen, Philippe Rocca-Serra, Robert Pergl, Susanna-Assunta Sansone, Luiz Olavo Bonino da Silva Santos, Juliane Schneider, George O. Strawn, Mark Thompson, Andra Waagmeester, Tobias Weigel, Mark D. Wilkinson, Egon L. Willighagen, Peter Wittenburg, Marco Roos, Barend Mons, Erik Schultes:
FAIR Principles: Interpretations and Implementation Considerations. Data Intell. 2(1-2): 10-29 (2020) - [j42]Simon J. Coles, Jeremy G. Frey, Egon L. Willighagen, Stuart J. Chalk:
Taking FAIR on the ChIN: The Chemistry Implementation Network. Data Intell. 2(1-2): 131-138 (2020) - [j41]Rajarshi Guha, Egon L. Willighagen:
Learning cheminformatics. J. Cheminformatics 12(1): 4 (2020) - [j40]Egon L. Willighagen:
Adoption of the Citation Typing Ontology by the Journal of Cheminformatics. J. Cheminformatics 12(1): 47 (2020) - [c15]Laurent A. Winckers, Egon L. Willighagen:
Expanding the eNanoMapper Ontology (short paper). ICBO/ODLS 2020: 1-2
2010 – 2019
- 2019
- [j39]Egon L. Willighagen, Nina Jeliazkova, Rajarshi Guha:
Journal of Cheminformatics, ORCID, and GitHub. J. Cheminformatics 11(1): 44:1-44:2 (2019) - 2018
- [j38]Denise N. Slenter, Martina Kutmon, Kristina Hanspers, Anders Riutta, Jacob Windsor, Nuno Nunes, Jonathan Mélius, Elisa Cirillo, Susan L. Coort, Daniela Digles, Friederike Ehrhart, Pieter Giesbertz, Marianthi Kalafati, Marvin Martens, Ryan A. Miller, Kozo Nishida, Linda Rieswijk, Andra Waagmeester, Lars M. T. Eijssen, Chris T. A. Evelo, Alexander R. Pico, Egon L. Willighagen:
WikiPathways: a multifaceted pathway database bridging metabolomics to other omics research. Nucleic Acids Res. 46(Database-Issue): D661-D667 (2018) - [c14]Tobias Kuhn, Albert Meroño-Peñuela, Alexander Malic, Jorrit H. Poelen, Allen H. Hurlbert, Emilio Centeno Ortiz, Laura I. Furlong, Núria Queralt-Rosinach, Christine Chichester, Juan M. Banda, Egon L. Willighagen, Friederike Ehrhart, Chris T. A. Evelo, Tareq B. Malas, Michel Dumontier:
Nanopublications: A Growing Resource of Provenance-Centric Scientific Linked Data. eScience 2018: 83-92 - [c13]Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen:
Geospatial data and Scholia. GeoLD-QuWeDa@ESWC 2018: 34-40 - [c12]Egon L. Willighagen:
Increasing the nanopublication recall with a BridgeDb identifier mapping service. SWAT4LS 2018 - [i6]Tobias Kuhn, Albert Meroño-Peñuela, Alexander Malic, Jorrit H. Poelen, Allen H. Hurlbert, Emilio Centeno, Laura I. Furlong, Núria Queralt-Rosinach, Christine Chichester, Juan M. Banda, Egon L. Willighagen, Friederike Ehrhart, Chris T. A. Evelo, Tareq B. Malas, Michel Dumontier:
Nanopublications: A Growing Resource of Provenance-Centric Scientific Linked Data. CoRR abs/1809.06532 (2018) - [i5]Martina Kutmon, Friederike Ehrhart, Egon L. Willighagen, Chris T. A. Evelo, Susan L. Coort:
CyTargetLinker app update: A flexible solution for network extension in Cytoscape. F1000Research 7: 743 (2018) - [i4]Friederike Ehrhart, Jonathan Mélius, Elisa Cirillo, Martina Kutmon, Egon L. Willighagen, Susan L. Coort, Leopold M. G. Curfs, Chris T. A. Evelo:
Providing gene-to-variant and variant-to-gene database identifier mappings to use with BridgeDb mapping services. F1000Research 7: 1390 (2018) - 2017
- [j37]Samuel Lampa, Egon L. Willighagen, Pekka Kohonen, Ali King, Denny Vrandecic, Roland Grafstrom, Ola Spjuth:
RDFIO: extending Semantic MediaWiki for interoperable biomedical data management. J. Biomed. Semant. 8(1): 35:1-35:13 (2017) - [j36]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 33:1-33:19 (2017) - [j35]Rajarshi Guha, Egon L. Willighagen:
Helping to improve the practice of cheminformatics. J. Cheminformatics 9(1): 40:1-40:2 (2017) - [j34]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 53 (2017) - [c11]Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen:
Scholia, Scientometrics and Wikidata. ESWC (Satellite Events) 2017: 237-259 - [c10]Tobias Kuhn, Egon L. Willighagen, Chris T. A. Evelo, Núria Queralt-Rosinach, Emilio Centeno, Laura I. Furlong:
Reliable Granular References to Changing Linked Data. ISWC (1) 2017: 436-451 - [c9]Ryan A. Miller, Denise N. Slenter, Martina Kutmon, Jonathan Mélius, Georg Summer, Chris T. A. Evelo, Egon L. Willighagen:
Visualizing Metabolomics Data in Directed Biological Networks. SWAT4LS 2017 - [i3]Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen:
Scholia and scientometrics with Wikidata. CoRR abs/1703.04222 (2017) - [i2]Tobias Kuhn, Egon L. Willighagen, Chris T. A. Evelo, Núria Queralt-Rosinach, Emilio Centeno, Laura I. Furlong:
Reliable Granular References to Changing Linked Data. CoRR abs/1708.09193 (2017) - [i1]Merlijn N. van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez Del Angel, Warwick B. Dunn, Timothy M. D. Ebbels, Franck Giacomoni, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Jose L. Izquierdo-García, Rafael C. Jiménez, Fabien Jourdan, Namrata Kale, Maria I. Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Nicholas K. Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M. Salek, Susanna-Assunta Sansone, Venkata P. Satagopam, Daniel Schober, Ruth Shimmo, Rachel A. Spicer, Ola Spjuth, Etienne A. Thévenot, Mark R. Viant, Ralf J. M. Weber, Egon L. Willighagen, Gianluigi Zanetti, Christoph Steinbeck:
The future of metabolomics in ELIXIR. F1000Research 6: 1649- (2017) - 2016
- [j33]Ola Spjuth, Patrik Rydberg, Egon L. Willighagen, Chris T. A. Evelo, Nina Jeliazkova:
XMetDB: an open access database for xenobiotic metabolism. J. Cheminformatics 8(1): 47:1-47:8 (2016) - [j32]Martina Kutmon, Anders Riutta, Nuno Nunes, Kristina Hanspers, Egon L. Willighagen, Anwesha Bohler, Jonathan Mélius, Andra Waagmeester, Sravanthi R. Sinha, Ryan A. Miller, Susan L. Coort, Elisa Cirillo, Bart Smeets, Chris T. A. Evelo, Alexander R. Pico:
WikiPathways: capturing the full diversity of pathway knowledge. Nucleic Acids Res. 44(Database-Issue): 488-494 (2016) - [j31]Andra Waagmeester, Martina Kutmon, Anders Riutta, Ryan A. Miller, Egon L. Willighagen, Chris T. A. Evelo, Alexander R. Pico:
Using the Semantic Web for Rapid Integration of WikiPathways with Other Biological Online Data Resources. PLoS Comput. Biol. 12(6) (2016) - [c8]Ryan A. Miller, Jonathan Mélius, Nuno Nunes, Egon L. Willighagen, Peter Woollard, Chris T. A. Evelo:
Finding Drugs with Common Downstream Effects, Using Direction Information in Biological Pathways. SWAT4LS 2016 - [c7]Andra Waagmeester, Egon L. Willighagen, Núria Queralt Rosinach, Elvira Mitraka, Sebastian Burgstaller-Muehlbacher, Tim E. Putman, Julia Turner, Lynn M. Schriml, Paul Pavlidis, Andrew I. Su, Benjamin M. Good:
Linking Wikidata to the Rest of the Semantic Web. SWAT4LS 2016 - [c6]Egon L. Willighagen, Micha Rautenberg, Denis Gebele, Linda Rieswijk, Friederike Ehrhart, Jiakang Chang, Georgios Drakakis, Penny Nymark, Pekka Kohonen, Gareth I. Owen, Haralambos Sarimveis, Christoph Helma, Nina Jeliazkova:
Answering Scientific Questions with linked European Nanosafety Data. SWAT4LS 2016 - 2015
- [j30]Janna Hastings, Nina Jeliazkova, Gareth I. Owen, Georgia Tsiliki, Cristian R. Munteanu, Christoph Steinbeck, Egon L. Willighagen:
eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment. J. Biomed. Semant. 6: 10 (2015) - [j29]Anwesha Bohler, Lars M. T. Eijssen, Martijn P. van Iersel, Christ Leemans, Egon L. Willighagen, Martina Kutmon, Magali Jaillard, Chris T. A. Evelo:
Automatically visualise and analyse data on pathways using PathVisioRPC from any programming environment. BMC Bioinform. 16: 267:1-267:12 (2015) - [j28]Gang Fu, Colin R. Batchelor, Michel Dumontier, Janna Hastings, Egon L. Willighagen, Evan Bolton:
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases. J. Cheminformatics 7: 34:1-34:15 (2015) - [j27]Georgia Tsiliki, Cristian R. Munteanu, José A. Seoane, Carlos Fernandez-Lozano, Haralambos Sarimveis, Egon L. Willighagen:
RRegrs: an R package for computer-aided model selection with multiple regression models. J. Cheminformatics 7: 46:1-46:16 (2015) - 2014
- [c5]Nina Jeliazkova, Philip Doganis, Bengt Fadeel, Roland Grafstrom, Janna Hastings, Vedrin Jeliazkov, Pekka Kohonen, Cristian R. Munteanu, Haralambos Sarimveis, Bart Smeets, Georgia Tsiliki, David Vorgrimmler, Egon L. Willighagen:
The first eNanoMapper prototype: A substance database to support safe-by-design. BIBM 2014: 1-9 - [c4]Colin R. Batchelor, Christian Y. A. Brenninkmeijer, Christine Chichester, Mark Davies, Daniela Digles, Ian Dunlop, Chris T. A. Evelo, Anna Gaulton, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Lee Harland, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen:
Scientific Lenses to Support Multiple Views over Linked Chemistry Data. ISWC (1) 2014: 98-113 - 2013
- [j26]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. Bioinform. 29(2): 286-289 (2013) - [j25]Ola Spjuth, Arvid Berg, Samuel E. Adams, Egon L. Willighagen:
Applications of the InChI in cheminformatics with the CDK and Bioclipse. J. Cheminformatics 5: 14 (2013) - [j24]Egon L. Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J. Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J. Wild:
The ChEMBL database as linked open data. J. Cheminformatics 5: 23 (2013) - [c3]Carole A. Goble, Alasdair J. G. Gray, Lee Harland, Karen Karapetyan, Antonis Loizou, Ivan Mikhailov, Yrjänä Rankka, Stefan Senger, Valery Tkachenko, Antony J. Williams, Egon L. Willighagen:
Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery. ISWC (2) 2013: 65-80 - 2012
- [j23]Jörg K. Wegner, Aaron D. 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) - [j22]Cameron Neylon, Jan Aerts, C. Titus Brown, Simon J. Coles, Les Hatton, Daniel Lemire, K. Jarrod Millman, Peter Murray-Rust, Fernando Pérez, Neil F. W. Saunders, Nigam Shah, Arfon M. Smith, Gaël Varoquaux, Egon L. Willighagen:
Changing computational research. The challenges ahead. Source Code Biol. Medicine 7: 2 (2012) - [j21]M. Scott Marshall, Richard D. Boyce, Helena F. Deus, Jun Zhao, Egon L. Willighagen, Matthias Samwald, Elgar Pichler, Janos G. Hajagos, Eric Prud'hommeaux, Susie Stephens:
Emerging practices for mapping and linking life sciences data using RDF - A case series. J. Web Semant. 14: 2-13 (2012) - [c2]Christian Y. A. Brenninkmeijer, Chris T. A. Evelo, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Steve Pettifer, Robert Stevens, Antony J. Williams, Egon L. Willighagen:
Scientific Lenses over Linked Data: An Approach to Support Task Specific Views of the Data. A Vision. LISC@ISWC 2012 - 2011
- [j20]Miguel Rojas-Chertó, Piotr T. Kasper, Egon L. Willighagen, Rob J. Vreeken, Thomas Hankemeier, Theo H. Reijmers:
Elemental composition determination based on MSn. Bioinform. 27(17): 2376-2383 (2011) - [j19]Egon L. Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa, Maris Lapins, Ola Spjuth, Jarl E. S. Wikberg:
Linking the Resource Description Framework to cheminformatics and proteochemometrics. J. Biomed. Semant. 2(S-1): S6 (2011) - [j18]Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck:
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution. J. Cheminformatics 3(S-1): 5 (2011) - [j17]Egon L. Willighagen, Martin P. Brändle:
Resource description framework technologies in chemistry. J. Cheminformatics 3: 15 (2011) - [j16]Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Kallesøe, Egon L. Willighagen, Janos G. 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) - [j15]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) - [j14]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) - [j13]Andreas Truszkowski, Kalai Vanii 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) - 2010
- [j12]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. Bioinform. 26(20): 2647-2648 (2010) - [j11]Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck:
CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinform. 11: 159 (2010) - [j10]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)
2000 – 2009
- 2009
- [j9]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 Bioinform. 10: 279 (2009) - [j8]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 Bioinform. 10: 397 (2009) - [c1]Egon L. Willighagen, Jarl E. S. Wikberg:
Linking Open Drug Data to Cheminformatics and Proteochemometrics. SWAT4LS 2009 - 2007
- [j7]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 Bioinform. 8 (2007) - [j6]Egon L. Willighagen, Noel M. O'Boyle, Harini Gopalakrishnan, Dazhi Jiao, Rajarshi Guha, Christoph Steinbeck, David J. Wild:
Userscripts for the Life Sciences. BMC Bioinform. 8 (2007) - [j5]Stefan Kuhn, Tobias Helmus, Robert J. Lancashire, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Egon L. Willighagen:
Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an XML Vocabulary for Spectral Data. J. Chem. Inf. Model. 47(6): 2015-2034 (2007) - 2006
- [j4]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. J. Chem. Inf. Model. 46(2): 487-494 (2006) - [j3]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. J. Chem. Inf. Model. 46(3): 991-998 (2006) - 2004
- [j2]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. J. Chem. Inf. Model. 44(2): 462-469 (2004) - 2003
- [j1]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. J. Chem. Inf. Comput. Sci. 43(2): 493-500 (2003)
Coauthor Index
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