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
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityVerified email at farmbio.uu.se
Martina KutmonAssistant professor, Maastricht University, The NetherlandsVerified email at maastrichtuniversity.nl
Friederike EhrhartAssistant professor, Maastricht UniversityVerified email at maastrichtuniversity.nl
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
Andra WaagmeesterMicelio bvbaVerified email at micelio.be
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
Janna HastingsUCL, OvGU Magdeburg, EPFLVerified email at ucl.ac.uk
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
Ryan A. MillerMaastricht UniversityVerified email at maastrichtuniversity.nl
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonVerified email at imperial.ac.uk
Denise SlenterPhD candidate, Maastricht UniversityVerified email at maastrichtuniversity.nl
Dr. Susan Steinbusch-CoortAssistant Professor, dept of Bionformatics-BiGCaT, NUTRIM, Maastricht University, NLVerified email at maastrichtuniversity.nl
Marvin MartensPhD Candidate, Maastricht UniversityVerified email at maastrichtuniversity.nl
Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Anders RiuttaInstitute for Data Science and Biotechnology, Gladstone InstitutesVerified email at andersriutta.com
Pekka KohonenKarolinska Institutet, Institute for Environmental Medicine, Sweden; ORCID:0000-0002-7845-3611Verified email at ki.se
Elisa CirilloVerified email at maastrichtuniversity.nl

Egon Willighagen

Assistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542

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	996	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	517	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	501	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	478	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	406	2016
Open PHACTS: Semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug Discovery Today, 2012	327	2012
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	233	2011
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	225	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	210	2017
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	191	2011
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	138	2007
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	131	2019
The ChEMBL database as linked open data EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ... Journal of Cheminformatics 5 (1), 23, 2013	112	2013
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	107	2010
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	101	2000
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	89	2011
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	86	2020
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on N O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, RL Apodaca, ... Murray-Rust group, Unilever Centre for Molecular, 2011	80	2011
Emerging practices for mapping and linking life sciences data using RDF—A case series MS Marshall, R Boyce, HF Deus, J Zhao, EL Willighagen, M Samwald, ... Journal Of Web Semantics 14, 2-13, 2012	78	2012
Elemental Composition determination based on MSn M Rojas-Chertó, PT Kasper, EL Willighagen, RJ Vreeken, T Hankemeier, ... Bioinformatics 27 (17), 2376-2383, 2011	75	2011

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