Egon L. Willighagen

Publication Activity (10 Years)

Years Active: 2003-2024
Publications (10 Years): 46

Top Topics

Netezza Appliance

Development Kit

Top Venues

J. Cheminformatics

Nucleic Acids Res.

Publications

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) (2024)
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) (2023)
Egon L. Willighagen
Two years of explicit CiTO annotations. J. Cheminformatics 15 (1) (2023)
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) (2022)
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) (2022)
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) (2022)
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) (2022)
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) (2022)
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)
Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova
What is the role of cheminformatics in a pandemic? J. Cheminformatics 13 (1) (2021)
Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil
Reply to "FAIR chemical structure in the Journal of Cheminformatics". J. Cheminformatics 13 (1) (2021)
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) (2021)
Egon L. Willighagen
Bacting: a next generation, command line version of Bioclipse. J. Open Source Softw. 6 (62) (2021)
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) (2020)
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) (2020)
Rajarshi Guha, Egon L. Willighagen
Learning cheminformatics. J. Cheminformatics 12 (1) (2020)
Egon L. Willighagen
Adoption of the Citation Typing Ontology by the Journal of Cheminformatics. J. Cheminformatics 12 (1) (2020)
Laurent A. Winckers, Egon L. Willighagen
Expanding the eNanoMapper Ontology (short paper). ICBO/ODLS (2020)
Egon L. Willighagen, Nina Jeliazkova, Rajarshi Guha
Journal of Cheminformatics, ORCID, and GitHub. J. Cheminformatics 11 (1) (2019)
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 (2018)
Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen
Geospatial data and Scholia. GeoLD-QuWeDa@ESWC (2018)
Egon L. Willighagen
Increasing the nanopublication recall with a BridgeDb identifier mapping service. SWAT4LS (2018)
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 (2018)
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 (2018)
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)
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) (2018)
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) (2017)
Rajarshi Guha, Egon L. Willighagen
Helping to improve the practice of cheminformatics. J. Cheminformatics 9 (1) (2017)
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) (2017)
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)
Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen
Scholia and scientometrics with Wikidata. CoRR (2017)
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. Jimenez, 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 (2017)
Finn Årup Nielsen, Daniel Mietchen, Egon L. Willighagen
Scholia, Scientometrics and Wikidata. ESWC (Satellite Events) (2017)
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 (2017)
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) (2017)
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)
Egon L. Willighagen, Micha Rautenberg, Denis Gebele, Linda Rieswijk, Friederike Ehrhart, Jiakang Chang, Georgios Drakakis, Penny Nymark, Pekka Kohonen, Gareth Owen, Haralambos Sarimveis, Christoph Helma, Nina Jeliazkova
Answering Scientific Questions with linked European Nanosafety Data. SWAT4LS (2016)
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) (2016)
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)
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)
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)
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) (2016)
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 (2015)
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 (2015)
Janna Hastings, Nina Jeliazkova, Gareth 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 (2015)
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 (2015)
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)
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)
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)
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) (2013)
Ola Spjuth, Arvid Berg, Samuel E. Adams, Egon L. Willighagen
Applications of the InChI in cheminformatics with the CDK and Bioclipse. J. Cheminformatics 5 (2013)
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 (2013)
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) (2012)
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 (2012)
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)
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 (2012)
Egon L. Willighagen, Martin P. Brändle
Resource description framework technologies in chemistry. J. Cheminformatics 3 (2011)
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) (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 (2011)
Miguel Rojas-Chertó, Piotr T. Kasper, Egon L. Willighagen, Rob J. Vreeken, Thomas Hankemeier, Theo H. Reijmers
. Bioinform. 27 (17) (2011)
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 (2011)
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) (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 (2011)
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 (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. Bioinform. 26 (20) (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 (2010)
Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinform. 11 (2010)
Egon L. Willighagen, Jarl E. S. Wikberg
Linking Open Drug Data to Cheminformatics and Proteochemometrics. SWAT4LS (2009)
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 (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 Bioinform. 10 (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 Bioinform. 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 Bioinform. 8 (2007)
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) (2007)
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) (2006)
Egon L. Willighagen, H. M. G. W. Denissen, Ron Wehrens, Lutgarde M. C. Buydens
C 1D NMR Spectra as QSPR Descriptors. J. Chem. Inf. Model. 46 (2) (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. J. Chem. Inf. Model. 44 (2) (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. J. Chem. Inf. Comput. Sci. 43 (2) (2003)