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ORCIDBibTeX records: Egon L. Willighagen
@article{DBLP:journals/jcheminf/Willighagen23,
author = {Egon L. Willighagen},
title = {Two years of explicit CiTO annotations},
journal = {J. Cheminformatics},
volume = {15},
number = {1},
pages = {14},
year = {2023},
url = {https://doi.org/10.1186/s13321-023-00683-2},
doi = {10.1186/S13321-023-00683-2},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/Willighagen23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/AmmarCEW23,
author = {Ammar Ammar and
Rachel Cavill and
Chris T. A. Evelo and
Egon L. Willighagen},
title = {PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand
binding affinity},
journal = {J. Cheminformatics},
volume = {15},
number = {1},
pages = {31},
year = {2023},
url = {https://doi.org/10.1186/s13321-023-00701-3},
doi = {10.1186/S13321-023-00701-3},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/AmmarCEW23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/AmmarCEW22,
author = {Ammar Ammar and
Rachel Cavill and
Chris T. A. Evelo and
Egon L. Willighagen},
title = {PSnpBind: a database of mutated binding site protein-ligand complexes
constructed using a multithreaded virtual screening workflow},
journal = {J. Cheminformatics},
volume = {14},
number = {1},
pages = {8},
year = {2022},
url = {https://doi.org/10.1186/s13321-021-00573-5},
doi = {10.1186/S13321-021-00573-5},
timestamp = {Tue, 16 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/AmmarCEW22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/RijnACDEJLLMNPW22,
author = {Jeaphianne P. M. van Rijn and
Antreas Afantitis and
Mustafa Culha and
Maria Dusinska and
Thomas E. Exner and
Nina Jeliazkova and
Eleonora Marta Longhin and
Iseult Lynch and
Georgia Melagraki and
Penny Nymark and
Anastasios G. Papadiamantis and
David A. Winkler and
Hulya Yilmaz and
Egon L. Willighagen},
title = {European Registry of Materials: global, unique identifiers for (undisclosed)
nanomaterials},
journal = {J. Cheminformatics},
volume = {14},
number = {1},
pages = {57},
year = {2022},
url = {https://doi.org/10.1186/s13321-022-00614-7},
doi = {10.1186/S13321-022-00614-7},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/RijnACDEJLLMNPW22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/JacobsWHPWCMWWB22,
author = {Andrea Jacobs and
Dustin Williams and
Katherine Hickey and
Nathan Patrick and
Antony J. Williams and
Stuart J. Chalk and
Leah McEwen and
Egon L. Willighagen and
Martin Walker and
Evan Bolton and
Gabriel Sinclair and
Adam Sanford},
title = {{CAS} Common Chemistry in 2021: Expanding Access to Trusted Chemical
Information for the Scientific Community},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {11},
pages = {2737--2743},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.2c00268},
doi = {10.1021/ACS.JCIM.2C00268},
timestamp = {Sun, 12 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/JacobsWHPWCMWWB22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SinclairTMSSAWR22,
author = {Gabriel Sinclair and
Inthirany Thillainadarajah and
Brian Meyer and
Vicente Samano and
Sakuntala Sivasupramaniam and
Linda Adams and
Egon L. Willighagen and
Ann M. Richard and
Martin Walker and
Antony J. Williams},
title = {Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources
to Enrich Public Chemical Data},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {20},
pages = {4888--4905},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.2c00886},
doi = {10.1021/ACS.JCIM.2C00886},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SinclairTMSSAWR22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/MeldalPCLCBWdSB22,
author = {Birgit H. M. Meldal and
Livia Perfetto and
Colin W. Combe and
Tiago Lubiana and
Jo{\~{a}}o Vitor Ferreira Cavalcante and
Hema Bye{-}A{-}Jee and
Andra Waagmeester and
Noemi del{-}Toro and
Anjali Shrivastava and
Elisabet Barrera and
Edith D. Wong and
Bernhard Mlecnik and
Gabriela Bindea and
Kalpana Panneerselvam and
Egon L. Willighagen and
Juri Rappsilber and
Pablo Porras and
Henning Hermjakob and
Sandra E. Orchard},
title = {Complex Portal 2022: new curation frontiers},
journal = {Nucleic Acids Res.},
volume = {50},
number = {{D1}},
pages = {578--586},
year = {2022},
url = {https://doi.org/10.1093/nar/gkab991},
doi = {10.1093/NAR/GKAB991},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/MeldalPCLCBWdSB22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/GuhaWZJ21,
author = {Rajarshi Guha and
Egon L. Willighagen and
Barbara Zdrazil and
Nina Jeliazkova},
title = {What is the role of cheminformatics in a pandemic?},
journal = {J. Cheminformatics},
volume = {13},
number = {1},
pages = {16},
year = {2021},
url = {https://doi.org/10.1186/s13321-021-00491-6},
doi = {10.1186/S13321-021-00491-6},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/GuhaWZJ21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/GuhaJWZ21,
author = {Rajarshi Guha and
Nina Jeliazkova and
Egon L. Willighagen and
Barbara Zdrazil},
title = {Reply to "FAIR chemical structure in the Journal of Cheminformatics"},
journal = {J. Cheminformatics},
volume = {13},
number = {1},
pages = {49},
year = {2021},
url = {https://doi.org/10.1186/s13321-021-00521-3},
doi = {10.1186/S13321-021-00521-3},
timestamp = {Sat, 31 Jul 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/GuhaJWZ21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jossw/Willighagen21,
author = {Egon L. Willighagen},
title = {Bacting: a next generation, command line version of Bioclipse},
journal = {J. Open Source Softw.},
volume = {6},
number = {62},
pages = {2558},
year = {2021},
url = {https://doi.org/10.21105/joss.02558},
doi = {10.21105/JOSS.02558},
timestamp = {Sat, 31 Jul 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jossw/Willighagen21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/MartensARWSHMDL21,
author = {Marvin Martens and
Ammar Ammar and
Anders Riutta and
Andra Waagmeester and
Denise N. Slenter and
Kristina Hanspers and
Ryan A. Miller and
Daniela Digles and
Elisson N. Lopes and
Friederike Ehrhart and
Lauren J. Dupuis and
Laurent A. Winckers and
Susan L. Coort and
Egon L. Willighagen and
Chris T. A. Evelo and
Alexander R. Pico and
Martina Kutmon},
title = {WikiPathways: connecting communities},
journal = {Nucleic Acids Res.},
volume = {49},
number = {Database-Issue},
pages = {D613--D621},
year = {2021},
url = {https://doi.org/10.1093/nar/gkaa1024},
doi = {10.1093/NAR/GKAA1024},
timestamp = {Tue, 25 Jan 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/nar/MartensARWSHMDL21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/HanspersKCDDEHL21,
author = {Kristina Hanspers and
Martina Kutmon and
Susan L. Coort and
Daniela Digles and
Lauren J. Dupuis and
Friederike Ehrhart and
Finterly Hu and
Elisson N. Lopes and
Marvin Martens and
Nhung Pham and
Woosub Shin and
Denise N. Slenter and
Andra Waagmeester and
Egon L. Willighagen and
Laurent A. Winckers and
Chris T. A. Evelo and
Alexander R. Pico},
title = {Ten simple rules for creating reusable pathway models for computational
analysis and visualization},
journal = {PLoS Comput. Biol.},
volume = {17},
number = {8},
year = {2021},
url = {https://doi.org/10.1371/journal.pcbi.1009226},
doi = {10.1371/JOURNAL.PCBI.1009226},
timestamp = {Sun, 12 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/ploscb/HanspersKCDDEHL21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/dint/JacobsenAJBCCCC20,
author = {Annika Jacobsen and
Ricardo de Miranda Azevedo and
Nick S. Juty and
Dominique Batista and
Simon J. Coles and
Ronald Cornet and
M{\'{e}}lanie Courtot and
Merc{\`{e}} Crosas and
Michel Dumontier and
Chris T. A. Evelo and
Carole A. Goble and
Giancarlo Guizzardi and
Karsten Kryger Hansen and
Ali Hasnain and
Kristina M. Hettne and
Jaap Heringa and
Rob W. W. Hooft and
Melanie Imming and
Keith G. Jeffery and
Rajaram Kaliyaperumal and
Martijn G. Kersloot and
Christine R. Kirkpatrick and
Tobias Kuhn and
Ignasi Labastida and
Barbara Magagna and
Peter McQuilton and
Natalie Meyers and
Annalisa Montesanti and
Mirjam van Reisen and
Philippe Rocca{-}Serra and
Robert Pergl and
Susanna{-}Assunta Sansone and
Luiz Olavo Bonino da Silva Santos and
Juliane Schneider and
George O. Strawn and
Mark Thompson and
Andra Waagmeester and
Tobias Weigel and
Mark D. Wilkinson and
Egon L. Willighagen and
Peter Wittenburg and
Marco Roos and
Barend Mons and
Erik Schultes},
title = {{FAIR} Principles: Interpretations and Implementation Considerations},
journal = {Data Intell.},
volume = {2},
number = {1-2},
pages = {10--29},
year = {2020},
url = {https://doi.org/10.1162/dint\_r\_00024},
doi = {10.1162/DINT\_R\_00024},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/dint/JacobsenAJBCCCC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/dint/ColesFWC20,
author = {Simon J. Coles and
Jeremy G. Frey and
Egon L. Willighagen and
Stuart J. Chalk},
title = {Taking {FAIR} on the ChIN: The Chemistry Implementation Network},
journal = {Data Intell.},
volume = {2},
number = {1-2},
pages = {131--138},
year = {2020},
url = {https://doi.org/10.1162/dint\_a\_00035},
doi = {10.1162/DINT\_A\_00035},
timestamp = {Sun, 11 Oct 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/dint/ColesFWC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/GuhaW20,
author = {Rajarshi Guha and
Egon L. Willighagen},
title = {Learning cheminformatics},
journal = {J. Cheminformatics},
volume = {12},
number = {1},
pages = {4},
year = {2020},
url = {https://doi.org/10.1186/s13321-019-0406-z},
doi = {10.1186/S13321-019-0406-Z},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/GuhaW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/Willighagen20,
author = {Egon L. Willighagen},
title = {Adoption of the Citation Typing Ontology by the Journal of Cheminformatics},
journal = {J. Cheminformatics},
volume = {12},
number = {1},
pages = {47},
year = {2020},
url = {https://doi.org/10.1186/s13321-020-00448-1},
doi = {10.1186/S13321-020-00448-1},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/Willighagen20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/icbo/WinckersW20,
author = {Laurent A. Winckers and
Egon L. Willighagen},
editor = {Janna Hastings and
Frank Loebe},
title = {Expanding the eNanoMapper Ontology (short paper)},
booktitle = {Proceedings of the 11th International Conference on Biomedical Ontologies
{(ICBO)} joint with the 10th Workshop on Ontologies and Data in Life
Sciences {(ODLS)} and part of the Bolzano Summer of Knowledge (BoSK
2020), Virtual conference hosted in Bolzano, Italy, September 17,
2020},
series = {{CEUR} Workshop Proceedings},
volume = {2807},
pages = {1--2},
publisher = {CEUR-WS.org},
year = {2020},
url = {https://ceur-ws.org/Vol-2807/abstractZ.pdf},
timestamp = {Fri, 10 Mar 2023 16:22:24 +0100},
biburl = {https://dblp.org/rec/conf/icbo/WinckersW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/WillighagenJG19,
author = {Egon L. Willighagen and
Nina Jeliazkova and
Rajarshi Guha},
title = {Journal of Cheminformatics, ORCID, and GitHub},
journal = {J. Cheminformatics},
volume = {11},
number = {1},
pages = {44:1--44:2},
year = {2019},
url = {https://doi.org/10.1186/s13321-019-0365-4},
doi = {10.1186/S13321-019-0365-4},
timestamp = {Thu, 08 Aug 2019 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/WillighagenJG19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/SlenterKHRW0MCC18,
author = {Denise N. Slenter and
Martina Kutmon and
Kristina Hanspers and
Anders Riutta and
Jacob Windsor and
Nuno Nunes and
Jonathan M{\'{e}}lius and
Elisa Cirillo and
Susan L. Coort and
Daniela Digles and
Friederike Ehrhart and
Pieter Giesbertz and
Marianthi Kalafati and
Marvin Martens and
Ryan A. Miller and
Kozo Nishida and
Linda Rieswijk and
Andra Waagmeester and
Lars M. T. Eijssen and
Chris T. A. Evelo and
Alexander R. Pico and
Egon L. Willighagen},
title = {WikiPathways: a multifaceted pathway database bridging metabolomics
to other omics research},
journal = {Nucleic Acids Res.},
volume = {46},
number = {Database-Issue},
pages = {D661--D667},
year = {2018},
url = {https://doi.org/10.1093/nar/gkx1064},
doi = {10.1093/NAR/GKX1064},
timestamp = {Tue, 25 Jan 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/nar/SlenterKHRW0MCC18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/eScience/KuhnMMPHOFQCBWE18,
author = {Tobias Kuhn and
Albert Mero{\~{n}}o{-}Pe{\~{n}}uela and
Alexander Malic and
Jorrit H. Poelen and
Allen H. Hurlbert and
Emilio Centeno Ortiz and
Laura I. Furlong and
N{\'{u}}ria Queralt{-}Rosinach and
Christine Chichester and
Juan M. Banda and
Egon L. Willighagen and
Friederike Ehrhart and
Chris T. A. Evelo and
Tareq B. Malas and
Michel Dumontier},
title = {Nanopublications: {A} Growing Resource of Provenance-Centric Scientific
Linked Data},
booktitle = {14th {IEEE} International Conference on e-Science, e-Science 2018,
Amsterdam, The Netherlands, October 29 - November 1, 2018},
pages = {83--92},
publisher = {{IEEE} Computer Society},
year = {2018},
url = {https://doi.org/10.1109/eScience.2018.00024},
doi = {10.1109/ESCIENCE.2018.00024},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/eScience/KuhnMMPHOFQCBWE18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/esws/NielsenMW18,
author = {Finn {\AA}rup Nielsen and
Daniel Mietchen and
Egon L. Willighagen},
editor = {Matthias Wauer and
Mohamed Ahmed Sherif and
Muhammad Saleem and
Olaf Hartig and
Ricardo Usbeck and
Ruben Verborgh and
Axel{-}Cyrille Ngonga Ngomo},
title = {Geospatial data and Scholia},
booktitle = {Proceedings of the 3rd International Workshop on Geospatial Linked
Data and the 2nd Workshop on Querying the Web of Data co-located with
15th Extended Semantic Web Conference {(ESWC} 2018), Heraklion, Greece,
June 3, 2018},
series = {{CEUR} Workshop Proceedings},
volume = {2110},
pages = {34--40},
publisher = {CEUR-WS.org},
year = {2018},
url = {https://ceur-ws.org/Vol-2110/paper3.pdf},
timestamp = {Mon, 26 Jun 2023 20:42:05 +0200},
biburl = {https://dblp.org/rec/conf/esws/NielsenMW18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/Willighagen18,
author = {Egon L. Willighagen},
editor = {Andra Waagmeester and
Christopher J. O. Baker and
Andrea Splendiani and
Oya Deniz Beyan and
M. Scott Marshall},
title = {Increasing the nanopublication recall with a BridgeDb identifier mapping
service},
booktitle = {Proceedings of the 11th International Conference Semantic Web Applications
and Tools for Life Sciences, {SWAT4LS} 2018, Antwerp, Belgium, December
3-6, 2018},
series = {{CEUR} Workshop Proceedings},
volume = {2275},
publisher = {CEUR-WS.org},
year = {2018},
url = {https://ceur-ws.org/Vol-2275/short2.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:03 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/Willighagen18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1809-06532,
author = {Tobias Kuhn and
Albert Mero{\~{n}}o{-}Pe{\~{n}}uela and
Alexander Malic and
Jorrit H. Poelen and
Allen H. Hurlbert and
Emilio Centeno and
Laura I. Furlong and
N{\'{u}}ria Queralt{-}Rosinach and
Christine Chichester and
Juan M. Banda and
Egon L. Willighagen and
Friederike Ehrhart and
Chris T. A. Evelo and
Tareq B. Malas and
Michel Dumontier},
title = {Nanopublications: {A} Growing Resource of Provenance-Centric Scientific
Linked Data},
journal = {CoRR},
volume = {abs/1809.06532},
year = {2018},
url = {http://arxiv.org/abs/1809.06532},
eprinttype = {arXiv},
eprint = {1809.06532},
timestamp = {Sat, 23 Jan 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/corr/abs-1809-06532.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/f1000research/KutmonEWEC18,
author = {Martina Kutmon and
Friederike Ehrhart and
Egon L. Willighagen and
Chris T. A. Evelo and
Susan L. Coort},
title = {CyTargetLinker app update: {A} flexible solution for network extension
in Cytoscape},
journal = {F1000Research},
volume = {7},
pages = {743},
year = {2018},
url = {https://doi.org/10.12688/f1000research.14613.1},
doi = {10.12688/F1000RESEARCH.14613.1},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/f1000research/KutmonEWEC18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/f1000research/EhrhartMCKWCCE18,
author = {Friederike Ehrhart and
Jonathan M{\'{e}}lius and
Elisa Cirillo and
Martina Kutmon and
Egon L. Willighagen and
Susan L. Coort and
Leopold M. G. Curfs and
Chris T. A. Evelo},
title = {Providing gene-to-variant and variant-to-gene database identifier
mappings to use with BridgeDb mapping services},
journal = {F1000Research},
volume = {7},
pages = {1390},
year = {2018},
url = {https://doi.org/10.12688/f1000research.15708.1},
doi = {10.12688/F1000RESEARCH.15708.1},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/f1000research/EhrhartMCKWCCE18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/biomedsem/LampaWKKVGS17,
author = {Samuel Lampa and
Egon L. Willighagen and
Pekka Kohonen and
Ali King and
Denny Vrandecic and
Roland Grafstrom and
Ola Spjuth},
title = {{RDFIO:} extending Semantic MediaWiki for interoperable biomedical
data management},
journal = {J. Biomed. Semant.},
volume = {8},
number = {1},
pages = {35:1--35:13},
year = {2017},
url = {https://doi.org/10.1186/s13326-017-0136-y},
doi = {10.1186/S13326-017-0136-Y},
timestamp = {Thu, 13 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/biomedsem/LampaWKKVGS17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/WillighagenMABC17,
author = {Egon L. Willighagen and
John W. Mayfield and
Jonathan Alvarsson and
Arvid Berg and
Lars Carlsson and
Nina Jeliazkova and
Stefan Kuhn and
Tom{\'{a}}s Pluskal and
Miquel Rojas{-}Chert{\'{o}} and
Ola Spjuth and
Gilleain M. Torrance and
Chris T. A. Evelo and
Rajarshi Guha and
Christoph Steinbeck},
title = {The Chemistry Development Kit {(CDK)} v2.0: atom typing, depiction,
molecular formulas, and substructure searching},
journal = {J. Cheminformatics},
volume = {9},
number = {1},
pages = {33:1--33:19},
year = {2017},
url = {https://doi.org/10.1186/s13321-017-0220-4},
doi = {10.1186/S13321-017-0220-4},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/WillighagenMABC17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/GuhaW17,
author = {Rajarshi Guha and
Egon L. Willighagen},
title = {Helping to improve the practice of cheminformatics},
journal = {J. Cheminformatics},
volume = {9},
number = {1},
pages = {40:1--40:2},
year = {2017},
url = {https://doi.org/10.1186/s13321-017-0217-z},
doi = {10.1186/S13321-017-0217-Z},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/GuhaW17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/WillighagenMABC17a,
author = {Egon L. Willighagen and
John W. Mayfield and
Jonathan Alvarsson and
Arvid Berg and
Lars Carlsson and
Nina Jeliazkova and
Stefan Kuhn and
Tom{\'{a}}s Pluskal and
Miquel Rojas{-}Chert{\'{o}} and
Ola Spjuth and
Gilleain M. Torrance and
Chris T. A. Evelo and
Rajarshi Guha and
Christoph Steinbeck},
title = {Erratum to: The Chemistry Development Kit {(CDK)} v2.0: atom typing,
depiction, molecular formulas, and substructure searching},
journal = {J. Cheminformatics},
volume = {9},
number = {1},
pages = {53},
year = {2017},
url = {https://doi.org/10.1186/s13321-017-0231-1},
doi = {10.1186/S13321-017-0231-1},
timestamp = {Wed, 18 May 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/WillighagenMABC17a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/esws/NielsenMW17,
author = {Finn {\AA}rup Nielsen and
Daniel Mietchen and
Egon L. Willighagen},
editor = {Eva Blomqvist and
Katja Hose and
Heiko Paulheim and
Agnieszka Lawrynowicz and
Fabio Ciravegna and
Olaf Hartig},
title = {Scholia, Scientometrics and Wikidata},
booktitle = {The Semantic Web: {ESWC} 2017 Satellite Events - {ESWC} 2017 Satellite
Events, Portoro{\v{z}}, Slovenia, May 28 - June 1, 2017, Revised Selected
Papers},
series = {Lecture Notes in Computer Science},
volume = {10577},
pages = {237--259},
publisher = {Springer},
year = {2017},
url = {https://doi.org/10.1007/978-3-319-70407-4\_36},
doi = {10.1007/978-3-319-70407-4\_36},
timestamp = {Mon, 26 Sep 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/esws/NielsenMW17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/semweb/KuhnWEQCF17,
author = {Tobias Kuhn and
Egon L. Willighagen and
Chris T. A. Evelo and
N{\'{u}}ria Queralt{-}Rosinach and
Emilio Centeno and
Laura I. Furlong},
editor = {Claudia d'Amato and
Miriam Fern{\'{a}}ndez and
Valentina A. M. Tamma and
Freddy L{\'{e}}cu{\'{e}} and
Philippe Cudr{\'{e}}{-}Mauroux and
Juan F. Sequeda and
Christoph Lange and
Jeff Heflin},
title = {Reliable Granular References to Changing Linked Data},
booktitle = {The Semantic Web - {ISWC} 2017 - 16th International Semantic Web Conference,
Vienna, Austria, October 21-25, 2017, Proceedings, Part {I}},
series = {Lecture Notes in Computer Science},
volume = {10587},
pages = {436--451},
publisher = {Springer},
year = {2017},
url = {https://doi.org/10.1007/978-3-319-68288-4\_26},
doi = {10.1007/978-3-319-68288-4\_26},
timestamp = {Tue, 07 Sep 2021 13:48:04 +0200},
biburl = {https://dblp.org/rec/conf/semweb/KuhnWEQCF17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/MillerSKMSEW17,
author = {Ryan A. Miller and
Denise N. Slenter and
Martina Kutmon and
Jonathan M{\'{e}}lius and
Georg Summer and
Chris T. A. Evelo and
Egon L. Willighagen},
editor = {Adrian Paschke and
Albert Burger and
Andrea Splendiani and
M. Scott Marshall and
Paolo Romano and
Valentina Presutti},
title = {Visualizing Metabolomics Data in Directed Biological Networks},
booktitle = {Proceedings of the 10th International Conference on Semantic Web Applications
and Tools for Health Care and Life Sciences {(SWAT4LS} 2017), Rome,
Italy, December 4-7, 2017},
series = {{CEUR} Workshop Proceedings},
volume = {2042},
publisher = {CEUR-WS.org},
year = {2017},
url = {https://ceur-ws.org/Vol-2042/paper37.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:02 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/MillerSKMSEW17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/NielsenMW17,
author = {Finn {\AA}rup Nielsen and
Daniel Mietchen and
Egon L. Willighagen},
title = {Scholia and scientometrics with Wikidata},
journal = {CoRR},
volume = {abs/1703.04222},
year = {2017},
url = {http://arxiv.org/abs/1703.04222},
eprinttype = {arXiv},
eprint = {1703.04222},
timestamp = {Mon, 13 Aug 2018 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/NielsenMW17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1708-09193,
author = {Tobias Kuhn and
Egon L. Willighagen and
Chris T. A. Evelo and
N{\'{u}}ria Queralt{-}Rosinach and
Emilio Centeno and
Laura I. Furlong},
title = {Reliable Granular References to Changing Linked Data},
journal = {CoRR},
volume = {abs/1708.09193},
year = {2017},
url = {http://arxiv.org/abs/1708.09193},
eprinttype = {arXiv},
eprint = {1708.09193},
timestamp = {Sat, 23 Jan 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/corr/abs-1708-09193.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/f1000research/RijswijkBCCADEG17,
author = {Merlijn N. van Rijswijk and
Charlie Beirnaert and
Christophe Caron and
Marta Cascante and
Victoria Dominguez Del Angel and
Warwick B. Dunn and
Timothy M. D. Ebbels and
Franck Giacomoni and
Alejandra N. Gonz{\'{a}}lez{-}Beltr{\'{a}}n and
Thomas Hankemeier and
Kenneth Haug and
Jose L. Izquierdo{-}Garc{\'{\i}}a and
Rafael C. Jim{\'{e}}nez and
Fabien Jourdan and
Namrata Kale and
Maria I. Klapa and
Oliver Kohlbacher and
Kairi Koort and
Kim Kultima and
Gildas Le Corguill{\'{e}} and
Nicholas K. Moschonas and
Steffen Neumann and
Claire O'Donovan and
Martin Reczko and
Philippe Rocca{-}Serra and
Antonio Rosato and
Reza M. Salek and
Susanna{-}Assunta Sansone and
Venkata P. Satagopam and
Daniel Schober and
Ruth Shimmo and
Rachel A. Spicer and
Ola Spjuth and
Etienne A. Th{\'{e}}venot and
Mark R. Viant and
Ralf J. M. Weber and
Egon L. Willighagen and
Gianluigi Zanetti and
Christoph Steinbeck},
title = {The future of metabolomics in {ELIXIR}},
journal = {F1000Research},
volume = {6},
pages = {1649},
year = {2017},
url = {https://doi.org/10.12688/f1000research.12342.1},
doi = {10.12688/F1000RESEARCH.12342.1},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/f1000research/RijswijkBCCADEG17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SpjuthRWEJ16,
author = {Ola Spjuth and
Patrik Rydberg and
Egon L. Willighagen and
Chris T. A. Evelo and
Nina Jeliazkova},
title = {XMetDB: an open access database for xenobiotic metabolism},
journal = {J. Cheminformatics},
volume = {8},
number = {1},
pages = {47:1--47:8},
year = {2016},
url = {https://doi.org/10.1186/s13321-016-0161-3},
doi = {10.1186/S13321-016-0161-3},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/SpjuthRWEJ16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/KutmonRNHWBMWSM16,
author = {Martina Kutmon and
Anders Riutta and
Nuno Nunes and
Kristina Hanspers and
Egon L. Willighagen and
Anwesha Bohler and
Jonathan M{\'{e}}lius and
Andra Waagmeester and
Sravanthi R. Sinha and
Ryan A. Miller and
Susan L. Coort and
Elisa Cirillo and
Bart Smeets and
Chris T. A. Evelo and
Alexander R. Pico},
title = {WikiPathways: capturing the full diversity of pathway knowledge},
journal = {Nucleic Acids Res.},
volume = {44},
number = {Database-Issue},
pages = {488--494},
year = {2016},
url = {https://doi.org/10.1093/nar/gkv1024},
doi = {10.1093/NAR/GKV1024},
timestamp = {Thu, 29 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/KutmonRNHWBMWSM16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/WaagmeesterKRMW16,
author = {Andra Waagmeester and
Martina Kutmon and
Anders Riutta and
Ryan A. Miller and
Egon L. Willighagen and
Chris T. A. Evelo and
Alexander R. Pico},
title = {Using the Semantic Web for Rapid Integration of WikiPathways with
Other Biological Online Data Resources},
journal = {PLoS Comput. Biol.},
volume = {12},
number = {6},
year = {2016},
url = {https://doi.org/10.1371/journal.pcbi.1004989},
doi = {10.1371/JOURNAL.PCBI.1004989},
timestamp = {Thu, 29 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ploscb/WaagmeesterKRMW16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/MillerMNWWE16,
author = {Ryan A. Miller and
Jonathan M{\'{e}}lius and
Nuno Nunes and
Egon L. Willighagen and
Peter Woollard and
Chris T. A. Evelo},
editor = {Adrian Paschke and
Albert Burger and
Andrea Splendiani and
M. Scott Marshall and
Paolo Romano},
title = {Finding Drugs with Common Downstream Effects, Using Direction Information
in Biological Pathways},
booktitle = {Proceedings of the 9th International Conference Semantic Web Applications
and Tools for Life Sciences, Amsterdam, The Netherlands, December
5-8, 2016},
series = {{CEUR} Workshop Proceedings},
volume = {1795},
publisher = {CEUR-WS.org},
year = {2016},
url = {https://ceur-ws.org/Vol-1795/paper38.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:02 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/MillerMNWWE16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/WaagmeesterWQMB16,
author = {Andra Waagmeester and
Egon L. Willighagen and
N{\'{u}}ria Queralt Rosinach and
Elvira Mitraka and
Sebastian Burgstaller{-}Muehlbacher and
Tim E. Putman and
Julia Turner and
Lynn M. Schriml and
Paul Pavlidis and
Andrew I. Su and
Benjamin M. Good},
editor = {Adrian Paschke and
Albert Burger and
Andrea Splendiani and
M. Scott Marshall and
Paolo Romano},
title = {Linking Wikidata to the Rest of the Semantic Web},
booktitle = {Proceedings of the 9th International Conference Semantic Web Applications
and Tools for Life Sciences, Amsterdam, The Netherlands, December
5-8, 2016},
series = {{CEUR} Workshop Proceedings},
volume = {1795},
publisher = {CEUR-WS.org},
year = {2016},
url = {https://ceur-ws.org/Vol-1795/paper46.pdf},
timestamp = {Fri, 10 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/WaagmeesterWQMB16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/WillighagenRGRE16,
author = {Egon L. Willighagen and
Micha Rautenberg and
Denis Gebele and
Linda Rieswijk and
Friederike Ehrhart and
Jiakang Chang and
Georgios Drakakis and
Penny Nymark and
Pekka Kohonen and
Gareth I. Owen and
Haralambos Sarimveis and
Christoph Helma and
Nina Jeliazkova},
editor = {Adrian Paschke and
Albert Burger and
Andrea Splendiani and
M. Scott Marshall and
Paolo Romano},
title = {Answering Scientific Questions with linked European Nanosafety Data},
booktitle = {Proceedings of the 9th International Conference Semantic Web Applications
and Tools for Life Sciences, Amsterdam, The Netherlands, December
5-8, 2016},
series = {{CEUR} Workshop Proceedings},
volume = {1795},
publisher = {CEUR-WS.org},
year = {2016},
url = {https://ceur-ws.org/Vol-1795/paper40.pdf},
timestamp = {Fri, 10 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/WillighagenRGRE16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/biomedsem/HastingsJOTMSW15,
author = {Janna Hastings and
Nina Jeliazkova and
Gareth I. Owen and
Georgia Tsiliki and
Cristian R. Munteanu and
Christoph Steinbeck and
Egon L. Willighagen},
title = {eNanoMapper: harnessing ontologies to enable data integration for
nanomaterial risk assessment},
journal = {J. Biomed. Semant.},
volume = {6},
pages = {10},
year = {2015},
url = {https://doi.org/10.1186/s13326-015-0005-5},
doi = {10.1186/S13326-015-0005-5},
timestamp = {Mon, 28 Mar 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/biomedsem/HastingsJOTMSW15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/BohlerEILWKJE15,
author = {Anwesha Bohler and
Lars M. T. Eijssen and
Martijn P. van Iersel and
Christ Leemans and
Egon L. Willighagen and
Martina Kutmon and
Magali Jaillard and
Chris T. A. Evelo},
title = {Automatically visualise and analyse data on pathways using PathVisioRPC
from any programming environment},
journal = {{BMC} Bioinform.},
volume = {16},
pages = {267:1--267:12},
year = {2015},
url = {https://doi.org/10.1186/s12859-015-0708-8},
doi = {10.1186/S12859-015-0708-8},
timestamp = {Sun, 15 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/BohlerEILWKJE15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/FuBDHWB15,
author = {Gang Fu and
Colin R. Batchelor and
Michel Dumontier and
Janna Hastings and
Egon L. Willighagen and
Evan Bolton},
title = {PubChemRDF: towards the semantic annotation of PubChem compound and
substance databases},
journal = {J. Cheminformatics},
volume = {7},
pages = {34:1--34:15},
year = {2015},
url = {https://doi.org/10.1186/s13321-015-0084-4},
doi = {10.1186/S13321-015-0084-4},
timestamp = {Wed, 25 Sep 2019 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/FuBDHWB15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/TsilikiMSFSW15,
author = {Georgia Tsiliki and
Cristian R. Munteanu and
Jos{\'{e}} A. Seoane and
Carlos Fernandez{-}Lozano and
Haralambos Sarimveis and
Egon L. Willighagen},
title = {RRegrs: an {R} package for computer-aided model selection with multiple
regression models},
journal = {J. Cheminformatics},
volume = {7},
pages = {46:1--46:16},
year = {2015},
url = {https://doi.org/10.1186/s13321-015-0094-2},
doi = {10.1186/S13321-015-0094-2},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/TsilikiMSFSW15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/bibm/JeliazkovaDFGHJKMSSTVW14,
author = {Nina Jeliazkova and
Philip Doganis and
Bengt Fadeel and
Roland Grafstrom and
Janna Hastings and
Vedrin Jeliazkov and
Pekka Kohonen and
Cristian R. Munteanu and
Haralambos Sarimveis and
Bart Smeets and
Georgia Tsiliki and
David Vorgrimmler and
Egon L. Willighagen},
editor = {Huiru Jane Zheng and
Werner Dubitzky and
Xiaohua Hu and
Jin{-}Kao Hao and
Daniel P. Berrar and
Kwang{-}Hyun Cho and
Yadong Wang and
David R. Gilbert},
title = {The first eNanoMapper prototype: {A} substance database to support
safe-by-design},
booktitle = {2014 {IEEE} International Conference on Bioinformatics and Biomedicine,
{BIBM} 2014, Belfast, United Kingdom, November 2-5, 2014},
pages = {1--9},
publisher = {{IEEE} Computer Society},
year = {2014},
url = {https://doi.org/10.1109/BIBM.2014.6999367},
doi = {10.1109/BIBM.2014.6999367},
timestamp = {Fri, 24 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/bibm/JeliazkovaDFGHJKMSSTVW14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/semweb/BatchelorBCDDDEGGGGHKLOPSSTWWW14,
author = {Colin R. Batchelor and
Christian Y. A. Brenninkmeijer and
Christine Chichester and
Mark Davies and
Daniela Digles and
Ian Dunlop and
Chris T. A. Evelo and
Anna Gaulton and
Carole A. Goble and
Alasdair J. G. Gray and
Paul Groth and
Lee Harland and
Karen Karapetyan and
Antonis Loizou and
John P. Overington and
Steve Pettifer and
Jon Steele and
Robert Stevens and
Valery Tkachenko and
Andra Waagmeester and
Antony J. Williams and
Egon L. Willighagen},
editor = {Peter Mika and
Tania Tudorache and
Abraham Bernstein and
Chris Welty and
Craig A. Knoblock and
Denny Vrandecic and
Paul Groth and
Natasha F. Noy and
Krzysztof Janowicz and
Carole A. Goble},
title = {Scientific Lenses to Support Multiple Views over Linked Chemistry
Data},
booktitle = {The Semantic Web - {ISWC} 2014 - 13th International Semantic Web Conference,
Riva del Garda, Italy, October 19-23, 2014. Proceedings, Part {I}},
series = {Lecture Notes in Computer Science},
volume = {8796},
pages = {98--113},
publisher = {Springer},
year = {2014},
url = {https://doi.org/10.1007/978-3-319-11964-9\_7},
doi = {10.1007/978-3-319-11964-9\_7},
timestamp = {Sun, 12 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/conf/semweb/BatchelorBCDDDEGGGGHKLOPSSTWWW14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/SpjuthGCABWWE13,
author = {Ola Spjuth and
Valentin Georgiev and
Lars Carlsson and
Jonathan Alvarsson and
Arvid Berg and
Egon L. Willighagen and
Jarl E. S. Wikberg and
Martin Eklund},
title = {Bioclipse-R: integrating management and visualization of life science
data with statistical analysis},
journal = {Bioinform.},
volume = {29},
number = {2},
pages = {286--289},
year = {2013},
url = {https://doi.org/10.1093/bioinformatics/bts681},
doi = {10.1093/BIOINFORMATICS/BTS681},
timestamp = {Mon, 02 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/SpjuthGCABWWE13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SpjuthBAW13,
author = {Ola Spjuth and
Arvid Berg and
Samuel E. Adams and
Egon L. Willighagen},
title = {Applications of the InChI in cheminformatics with the {CDK} and Bioclipse},
journal = {J. Cheminformatics},
volume = {5},
pages = {14},
year = {2013},
url = {https://doi.org/10.1186/1758-2946-5-14},
doi = {10.1186/1758-2946-5-14},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/SpjuthBAW13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/WillighagenWSAWTHCW13,
author = {Egon L. Willighagen and
Andra Waagmeester and
Ola Spjuth and
Peter Ansell and
Antony J. Williams and
Valery Tkachenko and
Janna Hastings and
Bin Chen and
David J. Wild},
title = {The ChEMBL database as linked open data},
journal = {J. Cheminformatics},
volume = {5},
pages = {23},
year = {2013},
url = {https://doi.org/10.1186/1758-2946-5-23},
doi = {10.1186/1758-2946-5-23},
timestamp = {Wed, 07 Dec 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/WillighagenWSAWTHCW13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/semweb/GobleGHKLMRSTWW13,
author = {Carole A. Goble and
Alasdair J. G. Gray and
Lee Harland and
Karen Karapetyan and
Antonis Loizou and
Ivan Mikhailov and
Yrj{\"{a}}n{\"{a}} Rankka and
Stefan Senger and
Valery Tkachenko and
Antony J. Williams and
Egon L. Willighagen},
editor = {Harith Alani and
Lalana Kagal and
Achille Fokoue and
Paul Groth and
Chris Biemann and
Josiane Xavier Parreira and
Lora Aroyo and
Natasha F. Noy and
Chris Welty and
Krzysztof Janowicz},
title = {Incorporating Commercial and Private Data into an Open Linked Data
Platform for Drug Discovery},
booktitle = {The Semantic Web - {ISWC} 2013 - 12th International Semantic Web Conference,
Sydney, NSW, Australia, October 21-25, 2013, Proceedings, Part {II}},
series = {Lecture Notes in Computer Science},
volume = {8219},
pages = {65--80},
publisher = {Springer},
year = {2013},
url = {https://doi.org/10.1007/978-3-642-41338-4\_5},
doi = {10.1007/978-3-642-41338-4\_5},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/semweb/GobleGHKLMRSTWW13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cacm/WegnerSGBFHOOVW12,
author = {J{\"{o}}rg K. Wegner and
Aaron D. Sterling and
Rajarshi Guha and
Andreas Bender and
Jean{-}Loup Faulon and
Janna Hastings and
Noel M. O'Boyle and
John P. Overington and
Herman van Vlijmen and
Egon L. Willighagen},
title = {Cheminformatics},
journal = {Commun. {ACM}},
volume = {55},
number = {11},
pages = {65--75},
year = {2012},
url = {https://doi.org/10.1145/2366316.2366334},
doi = {10.1145/2366316.2366334},
timestamp = {Wed, 06 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cacm/WegnerSGBFHOOVW12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/scfbm/NeylonABCHLMMPSSSVW12,
author = {Cameron Neylon and
Jan Aerts and
C. Titus Brown and
Simon J. Coles and
Les Hatton and
Daniel Lemire and
K. Jarrod Millman and
Peter Murray{-}Rust and
Fernando P{\'{e}}rez and
Neil F. W. Saunders and
Nigam Shah and
Arfon M. Smith and
Ga{\"{e}}l Varoquaux and
Egon L. Willighagen},
title = {Changing computational research. The challenges ahead},
journal = {Source Code Biol. Medicine},
volume = {7},
pages = {2},
year = {2012},
url = {https://doi.org/10.1186/1751-0473-7-2},
doi = {10.1186/1751-0473-7-2},
timestamp = {Fri, 09 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/scfbm/NeylonABCHLMMPSSSVW12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ws/MarshallBDZWSPHPS12,
author = {M. Scott Marshall and
Richard D. Boyce and
Helena F. Deus and
Jun Zhao and
Egon L. Willighagen and
Matthias Samwald and
Elgar Pichler and
Janos G. Hajagos and
Eric Prud'hommeaux and
Susie Stephens},
title = {Emerging practices for mapping and linking life sciences data using
{RDF} - {A} case series},
journal = {J. Web Semant.},
volume = {14},
pages = {2--13},
year = {2012},
url = {https://doi.org/10.1016/j.websem.2012.02.003},
doi = {10.1016/J.WEBSEM.2012.02.003},
timestamp = {Fri, 09 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ws/MarshallBDZWSPHPS12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/semweb/BrenninkmeijerE12,
author = {Christian Y. A. Brenninkmeijer and
Chris T. A. Evelo and
Carole A. Goble and
Alasdair J. G. Gray and
Paul Groth and
Steve Pettifer and
Robert Stevens and
Antony J. Williams and
Egon L. Willighagen},
editor = {Tomi Kauppinen and
Line C. Pouchard and
Carsten Ke{\ss}ler},
title = {Scientific Lenses over Linked Data: An Approach to Support Task Specific
Views of the Data. {A} Vision},
booktitle = {Proceedings of the Second International Workshop on Linked Science
2012 - Tackling Big Data, Boston, MA, USA, November 12, 2012},
series = {{CEUR} Workshop Proceedings},
volume = {951},
publisher = {CEUR-WS.org},
year = {2012},
url = {https://ceur-ws.org/Vol-951/paper5.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:03 +0100},
biburl = {https://dblp.org/rec/conf/semweb/BrenninkmeijerE12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/Rojas-ChertoKWVHR11,
author = {Miguel Rojas{-}Chert{\'{o}} and
Piotr T. Kasper and
Egon L. Willighagen and
Rob J. Vreeken and
Thomas Hankemeier and
Theo H. Reijmers},
title = {Elemental composition determination based on MS\({}^{\mbox{\emph{n}}}\)},
journal = {Bioinform.},
volume = {27},
number = {17},
pages = {2376--2383},
year = {2011},
url = {https://doi.org/10.1093/bioinformatics/btr409},
doi = {10.1093/BIOINFORMATICS/BTR409},
timestamp = {Tue, 29 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/Rojas-ChertoKWVHR11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/biomedsem/WillighagenAAELLSW11,
author = {Egon L. Willighagen and
Jonathan Alvarsson and
Annsofie Andersson and
Martin Eklund and
Samuel Lampa and
Maris Lapins and
Ola Spjuth and
Jarl E. S. Wikberg},
title = {Linking the Resource Description Framework to cheminformatics and
proteochemometrics},
journal = {J. Biomed. Semant.},
volume = {2},
number = {{S-1}},
pages = {S6},
year = {2011},
url = {http://www.jbiomedsem.com/content/2/S1/S6},
timestamp = {Thu, 13 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/biomedsem/WillighagenAAELLSW11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/TruszkowskiNZWS11,
author = {Andreas Truszkowski and
Stefan Neumann and
Achim Zielesny and
Egon L. Willighagen and
Christoph Steinbeck},
title = {CDK-Taverna 2.0: migration and enhancements of an open-source pipelining
solution},
journal = {J. Cheminformatics},
volume = {3},
number = {{S-1}},
pages = {5},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-S1-P5},
doi = {10.1186/1758-2946-3-S1-P5},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/TruszkowskiNZWS11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/WillighagenB11,
author = {Egon L. Willighagen and
Martin P. Br{\"{a}}ndle},
title = {Resource description framework technologies in chemistry},
journal = {J. Cheminformatics},
volume = {3},
pages = {15},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-15},
doi = {10.1186/1758-2946-3-15},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/WillighagenB11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SamwaldJBKWHMPHPS11,
author = {Matthias Samwald and
Anja Jentzsch and
Christopher Bouton and
Claus Kalles{\o}e and
Egon L. Willighagen and
Janos G. Hajagos and
M. Scott Marshall and
Eric Prud'hommeaux and
Oktie Hassanzadeh and
Elgar Pichler and
Susie Stephens},
title = {Linked open drug data for pharmaceutical research and development},
journal = {J. Cheminformatics},
volume = {3},
pages = {19},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-19},
doi = {10.1186/1758-2946-3-19},
timestamp = {Fri, 09 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/SamwaldJBKWHMPHPS11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/OBoyleGWAABFHHHJJLLLLPPSSTTM11,
author = {Noel M. O'Boyle and
Rajarshi Guha and
Egon L. Willighagen and
Sam E. Adams and
Jonathan Alvarsson and
Jean{-}Claude Bradley and
Igor V. Filippov and
Robert M. Hanson and
Marcus D. Hanwell and
Geoffrey R. Hutchison and
Craig A. James and
Nina Jeliazkova and
Andrew S. I. D. Lang and
Karol M. Langner and
David C. Lonie and
Daniel M. Lowe and
J{\'{e}}r{\^{o}}me Pansanel and
Dmitry Pavlov and
Ola Spjuth and
Christoph Steinbeck and
Adam L. Tenderholt and
Kevin J. Theisen and
Peter Murray{-}Rust},
title = {Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk
five years on},
journal = {J. Cheminformatics},
volume = {3},
pages = {37},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-37},
doi = {10.1186/1758-2946-3-37},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/OBoyleGWAABFHHHJJLLLLPPSSTTM11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/JessopAWHM11,
author = {David M. Jessop and
Sam E. Adams and
Egon L. Willighagen and
Lezan Hawizy and
Peter Murray{-}Rust},
title = {{OSCAR4:} a flexible architecture for chemical text-mining},
journal = {J. Cheminformatics},
volume = {3},
pages = {41},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-41},
doi = {10.1186/1758-2946-3-41},
timestamp = {Mon, 01 May 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/JessopAWHM11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/TruszkowskiJNWZS11,
author = {Andreas Truszkowski and
Kalai Vanii Jayaseelan and
Stefan Neumann and
Egon L. Willighagen and
Achim Zielesny and
Christoph Steinbeck},
title = {New developments on the cheminformatics open workflow environment
CDK-Taverna},
journal = {J. Cheminformatics},
volume = {3},
pages = {54},
year = {2011},
url = {https://doi.org/10.1186/1758-2946-3-54},
doi = {10.1186/1758-2946-3-54},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/TruszkowskiJNWZS11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/WohlgemuthHWKF10,
author = {Gert Wohlgemuth and
Pradeep Kumar Haldiya and
Egon L. Willighagen and
Tobias Kind and
Oliver Fiehn},
title = {The Chemical Translation Service - a web-based tool to improve standardization
of metabolomic reports},
journal = {Bioinform.},
volume = {26},
number = {20},
pages = {2647--2648},
year = {2010},
url = {https://doi.org/10.1093/bioinformatics/btq476},
doi = {10.1093/BIOINFORMATICS/BTQ476},
timestamp = {Mon, 02 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/WohlgemuthHWKF10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/KuhnWZS10,
author = {Thomas Kuhn and
Egon L. Willighagen and
Achim Zielesny and
Christoph Steinbeck},
title = {CDK-Taverna: an open workflow environment for cheminformatics},
journal = {{BMC} Bioinform.},
volume = {11},
pages = {159},
year = {2010},
url = {https://doi.org/10.1186/1471-2105-11-159},
doi = {10.1186/1471-2105-11-159},
timestamp = {Sun, 15 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/KuhnWZS10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SpjuthWGEW10,
author = {Ola Spjuth and
Egon L. Willighagen and
Rajarshi Guha and
Martin Eklund and
Jarl E. S. Wikberg},
title = {Towards interoperable and reproducible {QSAR} analyses: Exchange of
datasets},
journal = {J. Cheminformatics},
volume = {2},
pages = {5},
year = {2010},
url = {https://doi.org/10.1186/1758-2946-2-5},
doi = {10.1186/1758-2946-2-5},
timestamp = {Thu, 14 Feb 2019 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/SpjuthWGEW10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/WagenerSWW09,
author = {Johannes Wagener and
Ola Spjuth and
Egon L. Willighagen and
Jarl E. S. Wikberg},
title = {{XMPP} for cloud computing in bioinformatics supporting discovery
and invocation of asynchronous web services},
journal = {{BMC} Bioinform.},
volume = {10},
pages = {279},
year = {2009},
url = {https://doi.org/10.1186/1471-2105-10-279},
doi = {10.1186/1471-2105-10-279},
timestamp = {Sun, 15 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/WagenerSWW09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/SpjuthABEKMTWWSW09,
author = {Ola Spjuth and
Jonathan Alvarsson and
Arvid Berg and
Martin Eklund and
Stefan Kuhn and
Carl M{\"{a}}sak and
Gilleain M. Torrance and
Johannes Wagener and
Egon L. Willighagen and
Christoph Steinbeck and
Jarl E. S. Wikberg},
title = {Bioclipse 2: {A} scriptable integration platform for the life sciences},
journal = {{BMC} Bioinform.},
volume = {10},
pages = {397},
year = {2009},
url = {https://doi.org/10.1186/1471-2105-10-397},
doi = {10.1186/1471-2105-10-397},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/SpjuthABEKMTWWSW09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/WillighagenW09,
author = {Egon L. Willighagen and
Jarl E. S. Wikberg},
editor = {M. Scott Marshall and
Albert Burger and
Paolo Romano and
Adrian Paschke and
Andrea Splendiani},
title = {Linking Open Drug Data to Cheminformatics and Proteochemometrics},
booktitle = {Proceedings of the Workshop on Semantic Web Applications and Tools
for Life Sciences, Amsterdam, The Netherlands, November 20, 2009},
series = {{CEUR} Workshop Proceedings},
volume = {559},
publisher = {CEUR-WS.org},
year = {2009},
url = {https://ceur-ws.org/Vol-559/Paper3.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:02 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/WillighagenW09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/SpjuthHWKEWMSW07,
author = {Ola Spjuth and
Tobias Helmus and
Egon L. Willighagen and
Stefan Kuhn and
Martin Eklund and
Johannes Wagener and
Peter Murray{-}Rust and
Christoph Steinbeck and
Jarl E. S. Wikberg},
title = {Bioclipse: an open source workbench for chemo- and bioinformatics},
journal = {{BMC} Bioinform.},
volume = {8},
year = {2007},
url = {https://doi.org/10.1186/1471-2105-8-59},
doi = {10.1186/1471-2105-8-59},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/SpjuthHWKEWMSW07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bmcbi/WillighagenOGJGSW07,
author = {Egon L. Willighagen and
Noel M. O'Boyle and
Harini Gopalakrishnan and
Dazhi Jiao and
Rajarshi Guha and
Christoph Steinbeck and
David J. Wild},
title = {Userscripts for the Life Sciences},
journal = {{BMC} Bioinform.},
volume = {8},
year = {2007},
url = {https://doi.org/10.1186/1471-2105-8-487},
doi = {10.1186/1471-2105-8-487},
timestamp = {Sun, 15 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bmcbi/WillighagenOGJGSW07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KuhnHLMRSW07,
author = {Stefan Kuhn and
Tobias Helmus and
Robert J. Lancashire and
Peter Murray{-}Rust and
Henry S. Rzepa and
Christoph Steinbeck and
Egon L. Willighagen},
title = {Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an {XML}
Vocabulary for Spectral Data},
journal = {J. Chem. Inf. Model.},
volume = {47},
number = {6},
pages = {2015--2034},
year = {2007},
url = {https://doi.org/10.1021/ci600531a},
doi = {10.1021/CI600531A},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KuhnHLMRSW07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WillighagenDWB06,
author = {Egon L. Willighagen and
H. M. G. W. Denissen and
Ron Wehrens and
Lutgarde M. C. Buydens},
title = {On the Use of \({}^{\mbox{1}}\)H and \({}^{\mbox{13}}\)C 1D {NMR}
Spectra as {QSPR} Descriptors},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {2},
pages = {487--494},
year = {2006},
url = {https://doi.org/10.1021/ci050282s},
doi = {10.1021/CI050282S},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/WillighagenDWB06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GuhaHHMRSWW06,
author = {Rajarshi Guha and
Michael T. Howard and
Geoffrey R. Hutchison and
Peter Murray{-}Rust and
Henry S. Rzepa and
Christoph Steinbeck and
J{\"{o}}rg K. Wegner and
Egon L. Willighagen},
title = {The Blue Obelisk-Interoperability in Chemical Informatics},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {3},
pages = {991--998},
year = {2006},
url = {https://doi.org/10.1021/ci050400b},
doi = {10.1021/CI050400B},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/GuhaHHMRSWW06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Murray-RustRWW04,
author = {Peter Murray{-}Rust and
Henry S. Rzepa and
Mark J. Williamson and
Egon L. Willighagen},
title = {Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical
Metadata in {RSS} Aggregators},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {2},
pages = {462--469},
year = {2004},
url = {https://doi.org/10.1021/ci034244p},
doi = {10.1021/CI034244P},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Murray-RustRWW04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SteinbeckHKHLW03,
author = {Christoph Steinbeck and
Yongquan Han and
Stefan Kuhn and
Oliver Horlacher and
Edgar Luttmann and
Egon L. Willighagen},
title = {The Chemistry Development Kit {(CDK):} An Open-Source Java Library
for Chemo- and Bioinformatics},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {2},
pages = {493--500},
year = {2003},
url = {https://doi.org/10.1021/ci025584y},
doi = {10.1021/CI025584Y},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/SteinbeckHKHLW03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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