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Egon 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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