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
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityVerified email at farmbio.uu.se
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
Denise SlenterPhD candidate, Maastricht UniversityVerified email at maastrichtuniversity.nl
Ryan A. MillerMaastricht UniversityVerified email at maastrichtuniversity.nl
Janna HastingsUniversity of Zurich, University of St. Gallen, UCLVerified email at uzh.ch
Marvin MartensPhD Candidate, Maastricht 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
Dr. Susan Steinbusch-CoortAssistant Professor, dept of Bionformatics-BiGCaT, NUTRIM, Maastricht University, NLVerified email at maastrichtuniversity.nl
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonVerified email at imperial.ac.uk
Anders RiuttaInstitute for Data Science and Biotechnology, Gladstone InstitutesVerified email at andersriutta.com
Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Linda RieswijkMaastricht Institute of Data ScienceVerified email at maastrichtuniversity.nl
Pekka KohonenKarolinska Institutet, Institute for Environmental Medicine, Sweden; ORCID:0000-0002-7845-3611Verified email at ki.se

Egon Willighagen

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

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	1071	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	661	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	522	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	484	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	435	2016
Open PHACTS: Semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug Discovery Today, 2012	348	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	287	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	268	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	242	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	223	2011
WikiPathways: connecting communities M Martens, A Ammar, A Riutta, A Waagmeester, DN Slenter, K Hanspers, ... Nucleic Acids Research 49 (D1), D613–D621, 2021	196	2021
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	184	2019
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	124	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	123	2013
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	121	2020
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	114	2020
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
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	101	2011
Scholia and scientometrics with Wikidata FÅ Nielsen, D Mietchen, E Willighagen Lecture Notes in Computer Science 10577, 237-259, 2017	84	2017

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