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Egon Willighagen - Publications

Affiliations: 
Maastricht University, Maastricht, Limburg, Netherlands 
Area:
computational biology, chemometrics, cheminformatics
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33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Afantitis A, Melagraki G, Isigonis P, Tsoumanis A, Varsou DD, Valsami-Jones E, Papadiamantis A, Ellis LA, Sarimveis H, Doganis P, Karatzas P, Tsiros P, Liampa I, Lobaskin V, Greco D, ... ... Willighagen E, et al. NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for nanosafety assessment. Computational and Structural Biotechnology Journal. 18: 583-602. PMID 32226594 DOI: 10.1016/J.Csbj.2020.02.023  0.332
2020 Waagmeester A, Stupp G, Burgstaller-Muehlbacher S, Good BM, Griffith M, Griffith OL, Hanspers K, Hermjakob H, Hudson TS, Hybiske K, Keating SM, Manske M, Mayers M, Mietchen D, Mitraka E, ... ... Willighagen E, et al. Wikidata as a knowledge graph for the life sciences. Elife. 9. PMID 32180547 DOI: 10.7554/Elife.52614  0.322
2019 Stanstrup J, Broeckling CD, Helmus R, Hoffmann N, Mathé E, Naake T, Nicolotti L, Peters K, Rainer J, Salek RM, Schulze T, Schymanski EL, Stravs MA, Thévenot EA, Treutler H, ... ... Willighagen E, et al. The metaRbolomics Toolbox in Bioconductor and beyond. Metabolites. 9. PMID 31548506 DOI: 10.3390/Metabo9100200  0.365
2019 Rasberry L, Willighagen E, Nielsen F, Mietchen D. Robustifying Scholia: paving the way for knowledge discovery and research assessment through Wikidata Research Ideas and Outcomes. 5. DOI: 10.3897/Rio.5.E35820  0.358
2018 Nymark P, Rieswijk L, Ehrhart F, Jeliazkova N, Tsiliki G, Sarimveis H, Evelo CT, Hongisto V, Kohonen P, Willighagen E, Grafström RC. A Data Fusion Pipeline for Generating and Enriching Adverse Outcome Pathway Descriptions. Toxicological Sciences : An Official Journal of the Society of Toxicology. 162: 264-275. PMID 29149350 DOI: 10.1093/Toxsci/Kfx252  0.392
2018 Exner T, Dokler J, Bachler D, Farcal L, Evelo C, Willighagen E, Jennen D, Jabocs M, Doganis P, Sarimveis H, Lynch I, Gkoutos G, Kramer S, Notredame C, Spjuth O, et al. OpenRiskNet, an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment Toxicology Letters. 295: S104. DOI: 10.1016/J.Toxlet.2018.06.617  0.318
2017 Leist M, Ghallab A, Graepel R, Marchan R, Hassan R, Bennekou SH, Limonciel A, Vinken M, Schildknecht S, Waldmann T, Danen E, van Ravenzwaay B, Kamp H, Gardner I, Godoy P, ... ... Willighagen E, et al. Adverse outcome pathways: opportunities, limitations and open questions. Archives of Toxicology. PMID 29051992 DOI: 10.1007/S00204-017-2045-3  0.334
2016 Willighagen E, Rautenberg M, Gebele D, Rieswijk L, Ehrhart F, Chang J, Drakakis G, Nymark P, Kohonen P, Owen G, Sarimveis H, Helma C, Jeliazkova N. Answering scientific questions with linked European nanosafety data F1000research. 5. DOI: 10.7490/F1000Research.1113520.1  0.312
2015 Grafström RC, Nymark P, Hongisto V, Spjuth O, Ceder R, Willighagen E, Hardy B, Kaski S, Kohonen P. Toward the Replacement of Animal Experiments through the Bioinformatics-driven Analysis of 'Omics' Data from Human Cell Cultures. Alternatives to Laboratory Animals : Atla. 43: 325-32. PMID 26551289 DOI: 10.1177/026119291504300506  0.369
2015 Jeliazkova N, Chomenidis C, Doganis P, Fadeel B, Grafström R, Hardy B, Hastings J, Hegi M, Jeliazkov V, Kochev N, Kohonen P, Munteanu CR, Sarimveis H, Smeets B, Sopasakis P, ... ... Willighagen E, et al. The eNanoMapper database for nanomaterial safety information. Beilstein Journal of Nanotechnology. 6: 1609-34. PMID 26425413 DOI: 10.3762/Bjnano.6.165  0.43
2015 Fu G, Batchelor C, Dumontier M, Hastings J, Willighagen E, Bolton E. PubChemRDF: towards the semantic annotation of PubChem compound and substance databases. Journal of Cheminformatics. 7: 34. PMID 26175801 DOI: 10.1186/S13321-015-0084-4  0.303
2015 Mietchen D, Hagedorn G, Willighagen E, Rico M, Gómez-Pérez A, Aibar E, Rafes K, Germain C, Dunning A, Pintscher L, Kinzler D. Enabling Open Science: Wikidata for Research (Wiki4R) Research Ideas and Outcomes. 1: e7573. DOI: 10.3897/Rio.1.E7573  0.337
2013 Kohonen P, Benfenati E, Bower D, Ceder R, Crump M, Cross K, Grafström RC, Healy L, Helma C, Jeliazkova N, Jeliazkov V, Maggioni S, Miller S, Myatt G, Rautenberg M, ... ... Willighagen E, et al. The ToxBank Data Warehouse: Supporting the Replacement of In Vivo Repeated Dose Systemic Toxicity Testing. Molecular Informatics. 32: 47-63. PMID 27481023 DOI: 10.1002/Minf.201200114  0.361
2012 Spjuth O, Carlsson L, Alvarsson J, Georgiev V, Willighagen E, Eklund M. Open source drug discovery with bioclipse. Current Topics in Medicinal Chemistry. 12: 1980-6. PMID 23110533 DOI: 10.2174/156802612804910287  0.354
2012 Guha R, Willighagen E. A survey of quantitative descriptions of molecular structure Current Topics in Medicinal Chemistry. 12: 1946-1956. PMID 23110530 DOI: 10.2174/156802612804910278  0.334
2012 Neylon C, Aerts J, Brown CT, Coles SJ, Hatton L, Lemire D, Millman KJ, Murray-Rust P, Perez F, Saunders N, Shah N, Smith A, Varoquaux G, Willighagen E. Changing computational research. The challenges ahead. Source Code For Biology and Medicine. 7: 2. PMID 22640749 DOI: 10.1186/1751-0473-7-2  0.528
2012 Haupt C, Waagmester A, Willighagen E, Zimmermann M. A use case of text mining and its integration to Open PHACTS linked data cache F1000research. 3. DOI: 10.7490/F1000Research.1090261.1  0.372
2012 Willighagen E, Sjuth O, Grafström R. Computational toxicology using OpenTox & Bioclipse Toxicology Letters. 211: S60. DOI: 10.1016/J.Toxlet.2012.03.236  0.36
2012 Spjuth O, Willighagen E, Hammerling U, Dencker L, Grafström R. A novel infrastructure for chemical safety predictions with focus on human health Toxicology Letters. 211: S59. DOI: 10.1016/J.Toxlet.2012.03.234  0.367
2011 Willighagen EL, Jeliazkova N, Hardy B, Grafström RC, Spjuth O. Computational toxicology using the OpenTox application programming interface and Bioclipse. Bmc Research Notes. 4: 487. PMID 22075173 DOI: 10.1186/1756-0500-4-487  0.313
2011 Jessop DM, Adams SE, Willighagen EL, Hawizy L, Murray-Rust P. OSCAR4: a flexible architecture for chemical text-mining. Journal of Cheminformatics. 3: 41. PMID 21999457 DOI: 10.1186/1758-2946-3-41  0.545
2011 O'Boyle NM, Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley JC, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova N, Lang AS, Langner KM, Lonie DC, et al. Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. Journal of Cheminformatics. 3: 37. PMID 21999342 DOI: 10.1186/1758-2946-3-37  0.517
2011 Hastings J, Chepelev L, Willighagen E, Adams N, Steinbeck C, Dumontier M. The chemical information ontology: provenance and disambiguation for chemical data on the biological semantic web. Plos One. 6: e25513. PMID 21991315 DOI: 10.1371/Journal.Pone.0025513  0.387
2011 Samwald M, Jentzsch A, Bouton C, Kallesøe CS, Willighagen E, Hajagos J, Marshall MS, Prud'hommeaux E, Hassenzadeh O, Pichler E, Stephens S. Linked open drug data for pharmaceutical research and development. Journal of Cheminformatics. 3: 19. PMID 21575203 DOI: 10.1186/1758-2946-3-19  0.341
2007 Kuhn S, Helmus T, Lancashire RJ, Murray-Rust P, Rzepa HS, Steinbeck C, Willighagen EL. Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data. Journal of Chemical Information and Modeling. 47: 2015-34. PMID 17887743 DOI: 10.1021/Ci600531A  0.533
2007 Spjuth O, Helmus T, Willighagen EL, Kuhn S, Eklund M, Wagener J, Murray-Rust P, Steinbeck C, Wikberg JE. Bioclipse: an open source workbench for chemo- and bioinformatics. Bmc Bioinformatics. 8: 59. PMID 17316423 DOI: 10.1186/1471-2105-8-59  0.522
2007 Willighagen E, Howard M. Fast and Scriptable Molecular Graphics in Web Browsers without Java3D Nature Precedings. 2: 1-1. DOI: 10.1038/Npre.2007.50.1  0.345
2007 Willighagen EL, Wehrens R, Melssen W, de Gelder R, Buydens LMC. Supervised Self-Organizing Maps in Crystal Property and Structure Prediction Crystal Growth & Design. 7: 1738-1745. DOI: 10.1021/Cg060872Y  0.615
2006 Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL. The Blue Obelisk-interoperability in chemical informatics. Journal of Chemical Information and Modeling. 46: 991-8. PMID 16711717 DOI: 10.1021/Ci050400B  0.533
2006 Willighagen EL, Denissen HM, Wehrens R, Buydens LM. On the use of 1H and 13C 1D NMR spectra as QSPR descriptors. Journal of Chemical Information and Modeling. 46: 487-94. PMID 16562976 DOI: 10.1021/Ci050282S  0.598
2005 Willighagen EL, Wehrens R, Verwer P, de Gelder R, Buydens LM. Method for the computational comparison of crystal structures. Acta Crystallographica. Section B, Structural Science. 61: 29-36. PMID 15659855 DOI: 10.1107/S0108768104028344  0.628
2004 Murray-Rust P, Rzepa HS, Williamson MJ, Willighagen EL. Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators. Journal of Chemical Information and Computer Sciences. 44: 462-9. PMID 15032525 DOI: 10.1021/Ci034244P  0.525
2000 Krause S, Willighagen E, Steinbeck C. JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures Molecules. 5: 93-98. DOI: 10.3390/50100093  0.353
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