Egon Willighagen

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Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Martina KutmonAssistant professor, Maastricht University, The NetherlandsVerified email at maastrichtuniversity.nl
Friederike EhrhartAssistant professor, Maastricht UniversityVerified email at maastrichtuniversity.nl
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityVerified email at farmbio.uu.se
Andra WaagmeesterMicelio bvbaVerified email at micelio.be
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
Denise SlenterPhD candidate, Maastricht UniversityVerified email at maastrichtuniversity.nl
Marvin MartensPhD Candidate, Maastricht UniversityVerified email at maastrichtuniversity.nl
Ryan A. MillerMaastricht UniversityVerified email at maastrichtuniversity.nl
Alexander R PicoGladstone InstitutesVerified email at gladstone.ucsf.edu
Antony John Williams, 0000-0002-266...Center of Computational Toxicology and Exposure, Environmental Protection AgencyVerified email at epa.gov
Janna HastingsUniversity of Zurich, University of St. GallenVerified email at uzh.ch
Dr. Susan Steinbusch-CoortAssociate Professor, dept of Bionformatics-BiGCaT, NUTRIM, Maastricht University, NLVerified email at maastrichtuniversity.nl
Anders RiuttaInstitute for Data Science and Biotechnology, Gladstone InstitutesVerified email at andersriutta.com
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonVerified email at imperial.ac.uk
Linda RieswijkMaastricht Institute of Data ScienceVerified email at maastrichtuniversity.nl
Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Daniel MietchenLeibniz Institute of Freshwater Ecology and Inland FisheriesVerified email at igb-berlin.de

Egon Willighagen

Other namesEgon L. Willighagen

BiGCaT, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://scholar.social/@egonw

Verified email at maastrichtuniversity.nl - Homepage

Metabolomics Systems Biology Cheminformatics Chemometrics


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The Chemistry Development Kit (CDK): An open-source Java library for chemo-and bioinformatics C Steinbeck, Y Han, S Kuhn, O Horlacher, E Luttmann, E Willighagen Journal of chemical information and computer sciences 43 (2), 493-500, 2003	1130	2003
WikiPathways: a multifaceted pathway database bridging metabolomics to other omics research DN Slenter, M Kutmon, K Hanspers, A Riutta, J Windsor, N Nunes, ... Nucleic Acids Research 46 (D1), D661–D667, 2018	778	2018
Recent developments of the chemistry development kit (CDK)-an open-source java library for chemo-and bioinformatics C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen Current pharmaceutical design 12 (17), 2111-2120, 2006	540	2006
The Blue Obelisk - Interoperability in Chemical Informatics R Guha, MT Howard, GR Hutchison, MP Rust, H Rzepa, C Steinbeck, ... Journal of Chemical Information and Modeling 46, 991-998, 2006	491	2006
WikiPathways: capturing the full diversity of pathway knowledge M Kutmon, A Riutta, N Nunes, K Hanspers, EL Willighagen, A Bohler, ... Nucleic acids research 44 (D1), D488-D494, 2016	458	2016
WikiPathways: connecting communities M Martens, A Ammar, A Riutta, A Waagmeester, DN Slenter, K Hanspers, ... Nucleic Acids Research 49 (D1), D613–D621, 2021	368	2021
Open PHACTS: Semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug Discovery Today, 2012	360	2012
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ... Journal of Cheminformatics 9 (1), 33, 2017	348	2017
Adverse outcome pathways: opportunities, limitations and open questions M Leist, A Ghallab, R Graepel, R Marchan, R Hassan, SH Bennekou, ... Archives of toxicology 91 (11), 3477-3505, 2017	295	2017
Linked open drug data for pharmaceutical research and development M Samwald, A Jentzsch, C Bouton, CS Kallesøe, E Willighagen, ... Journal of Cheminformatics 3, 19, 2011	249	2011
OSCAR4: a flexible architecture for chemical text-mining DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust Journal of Cheminformatics 3, 41, 2011	237	2011
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, ... Nature communications 10 (1), 2674, 2019	222	2019
FAIR principles: Interpretations and implementation considerations A Jacobsen, R de Miranda Azevedo, N Juty, D Batista, S Coles, R Cornet, ... Data Intelligence 2 (1-2), 10-29, 2020	182	2020
Bioclipse: an open source workbench for chemo-and bioinformatics O Spjuth, T Helmus, E Willighagen, S Kuhn, M Eklund, J Wagener, ... BMC bioinformatics 8 (1), 59, 2007	147	2007
The Chemical Translation Service—a web-based tool to improve standardization of metabolomic reports G Wohlgemuth, PK Haldiya, E Willighagen, T Kind, O Fiehn Bioinformatics 26 (20), 2647-2648, 2010	136	2010
The ChEMBL database as linked open data EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ... Journal of Cheminformatics 5 (1), 23, 2013	134	2013
COVID-19 Disease Map, building a computational repository of SARS-CoV-2 virus-host interaction mechanisms M Ostaszewski, A Mazein, ME Gillespie, I Kuperstein, A Niarakis, ... Scientific Data 7 (1), 1-4, 2020	129	2020
Scholia and scientometrics with Wikidata FÅ Nielsen, D Mietchen, E Willighagen Lecture Notes in Computer Science 10577, 237-259, 2017	113	2017
The Chemical Information Ontology: Provenance and Disambiguation for Chemical Data on the Biological Semantic Web J Hastings, L Chepelev, E Willighagen, N Adams, C Steinbeck, ... PLoS ONE 6 (10), e25513, 2011	113	2011
JChemPaint-Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures S Krause, E Willighagen, C Steinbeck Molecules 5 (1), 93-98, 2000	104	2000

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