Egon L Willighagen

Egon L Willighagen

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Egon L Willighagen

Egon L Willighagen

Publications by authors named "Egon L Willighagen"

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37Publications

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Beyond Pathway Analysis: Identification of Active Subnetworks in Rett Syndrome.

Front Genet 2019 21;10:59. Epub 2019 Feb 21.

Department of Bioinformatics - BiGCaT, NUTRIM School of Nutrition and Translational Research in Metabolism, Maastricht University, Maastricht, Netherlands.

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https://www.frontiersin.org/article/10.3389/fgene.2019.00059
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http://dx.doi.org/10.3389/fgene.2019.00059DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6393361PMC
February 2019

A transcriptomics data-driven gene space accurately predicts liver cytopathology and drug-induced liver injury.

Nat Commun 2017 07 3;8:15932. Epub 2017 Jul 3.

Institute of Environmental Medicine, Karolinska Institutet, Nobels väg 13, Box 210, SE-17177 Stockholm, Sweden.

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http://dx.doi.org/10.1038/ncomms15932DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5500850PMC
July 2017

XMetDB: an open access database for xenobiotic metabolism.

J Cheminform 2016 15;8:47. Epub 2016 Sep 15.

IdeaConsult Ltd, 4 A.Kanchev str., 1000 Sofia, Bulgaria.

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http://dx.doi.org/10.1186/s13321-016-0161-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5025591PMC
September 2016

WikiPathways: capturing the full diversity of pathway knowledge.

Nucleic Acids Res 2016 Jan 19;44(D1):D488-94. Epub 2015 Oct 19.

Maastricht Centre for Systems Biology (MaCSBio), Maastricht University, Maastricht, 6229 ER Maastricht, The Netherlands

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http://dx.doi.org/10.1093/nar/gkv1024DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702772PMC
January 2016

RRegrs: an R package for computer-aided model selection with multiple regression models.

J Cheminform 2015 15;7:46. Epub 2015 Sep 15.

Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, P.O. Box 616, UNS50 Box 19, 6200 MD Maastricht, The Netherlands.

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http://dx.doi.org/10.1186/s13321-015-0094-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4570700PMC
September 2015

Automatically visualise and analyse data on pathways using PathVisioRPC from any programming environment.

BMC Bioinformatics 2015 Aug 23;16:267. Epub 2015 Aug 23.

Department of Bioinformatics - BiGCaT, Maastricht University, P.O. Box 616, UNS 50 Box 19, 6200, MD, Maastricht, The Netherlands.

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http://dx.doi.org/10.1186/s12859-015-0708-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4546821PMC
August 2015

The ChEMBL database as linked open data.

J Cheminform 2013 May 8;5(1):23. Epub 2013 May 8.

Department of Bioinformatics - BiGCaT, Maastricht University, P,O, Box 616, UNS50 Box 19, NL-6200 MD, Maastricht, The Netherlands.

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http://dx.doi.org/10.1186/1758-2946-5-23DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3700754PMC
May 2013

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

J Cheminform 2013 Mar 13;5(1):14. Epub 2013 Mar 13.

Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, 751 24 Sweden.

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http://dx.doi.org/10.1186/1758-2946-5-14DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3674901PMC
March 2013

Accessing, using, and creating chemical property databases for computational toxicology modeling.

Methods Mol Biol 2012 ;929:221-41

Royal Society of Chemistry, Wake Forest, NC, USA.

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http://dx.doi.org/10.1007/978-1-62703-050-2_10DOI Listing
February 2013

Open PHACTS: semantic interoperability for drug discovery.

Drug Discov Today 2012 Nov 7;17(21-22):1188-98. Epub 2012 Jun 7.

Royal Society of Chemistry, ChemSpider, US Office, Wake Forest, NC 27587, USA.

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http://dx.doi.org/10.1016/j.drudis.2012.05.016DOI Listing
November 2012

New developments on the cheminformatics open workflow environment CDK-Taverna.

J Cheminform 2011 Dec 13;3:54. Epub 2011 Dec 13.

Chemoinformatics and Metabolism, European Bioinformatics Institute (EBI), Cambridge, UK.

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http://dx.doi.org/10.1186/1758-2946-3-54DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3292505PMC
December 2011

Computational toxicology using the OpenTox application programming interface and Bioclipse.

BMC Res Notes 2011 Nov 10;4:487. Epub 2011 Nov 10.

Department of Pharmaceutical Bioinformatics, Uppsala University, Uppsala, Sweden.

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http://dx.doi.org/10.1186/1756-0500-4-487DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3264531PMC
November 2011

OSCAR4: a flexible architecture for chemical text-mining.

J Cheminform 2011 Oct 14;3(1):41. Epub 2011 Oct 14.

Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge CB2 1EW, UK.

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http://dx.doi.org/10.1186/1758-2946-3-41DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3205045PMC
October 2011

Elemental composition determination based on MS(n).

Bioinformatics 2011 Sep 14;27(17):2376-83. Epub 2011 Jul 14.

Netherlands Metabolomics Centre, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands.

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https://academic.oup.com/bioinformatics/article-lookup/doi/1
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http://dx.doi.org/10.1093/bioinformatics/btr409DOI Listing
September 2011

Resource description framework technologies in chemistry.

J Cheminform 2011 May 13;3(1):15. Epub 2011 May 13.

Division of Molecular Toxicology, Institute of Environmental Medicine, Karolinska Institutet, SE-17177 Stockholm, Sweden.

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http://dx.doi.org/10.1186/1758-2946-3-15DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3118380PMC
May 2011

Linking the Resource Description Framework to cheminformatics and proteochemometrics.

J Biomed Semantics 2011 Mar 7;2 Suppl 1:S6. Epub 2011 Mar 7.

Uppsala University, Department of Pharmaceutical Biosciences, Box 591, SE-751 24 Uppsala, Sweden.

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http://dx.doi.org/10.1186/2041-1480-2-S1-S6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3105498PMC
March 2011

Towards interoperable and reproducible QSAR analyses: Exchange of datasets.

J Cheminform 2010 Jun 30;2(1). Epub 2010 Jun 30.

Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden.

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http://dx.doi.org/10.1186/1758-2946-2-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2909924PMC
June 2010

CDK-Taverna: an open workflow environment for cheminformatics.

BMC Bioinformatics 2010 Mar 29;11:159. Epub 2010 Mar 29.

Chemoinformatics and Metabolism, European Bioinformatics Institute, Cambridge, UK.

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http://dx.doi.org/10.1186/1471-2105-11-159DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2862046PMC
March 2010

XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services.

BMC Bioinformatics 2009 Sep 4;10:279. Epub 2009 Sep 4.

Max von Pettenkofer-Institut, Ludwig-Maximilians-Universität, Munich, Germany.

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http://dx.doi.org/10.1186/1471-2105-10-279DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2755485PMC
September 2009

Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data.

J Chem Inf Model 2007 Nov-Dec;47(6):2015-34. Epub 2007 Sep 22.

Cologne University Bioinformatics Center (CUBIC), Cologne, Germany.

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http://dx.doi.org/10.1021/ci600531aDOI Listing
February 2008

Userscripts for the life sciences.

BMC Bioinformatics 2007 Dec 21;8:487. Epub 2007 Dec 21.

Cologne University Bioinformatics Center, Cologne University, Cologne, Germany.

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http://dx.doi.org/10.1186/1471-2105-8-487DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2222660PMC
December 2007

Bioclipse: an open source workbench for chemo- and bioinformatics.

BMC Bioinformatics 2007 Feb 22;8:59. Epub 2007 Feb 22.

Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden.

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http://dx.doi.org/10.1186/1471-2105-8-59DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1808478PMC
February 2007

Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.

Curr Pharm Des 2006 ;12(17):2111-20

Cologne University Bioinformatics Center (CUBIC), Germany.

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July 2006

The Blue Obelisk-interoperability in chemical informatics.

J Chem Inf Model 2006 May-Jun;46(3):991-8

Pennsylvania State University, University Park, Pennsylvania 16804-3000, Jmol Project, USA.

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http://pubs.acs.org/doi/abs/10.1021/ci050400b
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http://dx.doi.org/10.1021/ci050400bDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4878861PMC
June 2006

Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators.

J Chem Inf Comput Sci 2004 Mar-Apr;44(2):462-9

Unilever Centre for Molecular Informatics, University of Cambridge, Cambridge, UK.

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http://dx.doi.org/10.1021/ci034244pDOI Listing
December 2004