Egon L. Willighagen

Orcid: 0000-0001-7542-0286

Affiliations:
  • Maastricht University, The Netherlands


According to our database1, Egon L. Willighagen authored at least 75 papers between 2003 and 2024.

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Bibliography

2024
From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials.
J. Cheminformatics, December, 2024

2023
Two years of explicit CiTO annotations.
J. Cheminformatics, December, 2023

PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity.
J. Cheminformatics, December, 2023

2022
Complex Portal 2022: new curation frontiers.
Nucleic Acids Res., 2022

Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data.
J. Chem. Inf. Model., 2022

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community.
J. Chem. Inf. Model., 2022

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials.
J. Cheminformatics, 2022

PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflow.
J. Cheminformatics, 2022

2021
Ten simple rules for creating reusable pathway models for computational analysis and visualization.
PLoS Comput. Biol., 2021

WikiPathways: connecting communities.
Nucleic Acids Res., 2021

Bacting: a next generation, command line version of Bioclipse.
J. Open Source Softw., 2021

What is the role of cheminformatics in a pandemic?
J. Cheminformatics, 2021

Reply to "FAIR chemical structure in the Journal of Cheminformatics".
J. Cheminformatics, 2021

2020
Adoption of the Citation Typing Ontology by the Journal of Cheminformatics.
J. Cheminformatics, 2020

Learning cheminformatics.
J. Cheminformatics, 2020

FAIR Principles: Interpretations and Implementation Considerations.
Data Intell., 2020

Taking FAIR on the ChIN: The Chemistry Implementation Network.
Data Intell., 2020

Expanding the eNanoMapper Ontology (short paper).
Proceedings of the 11th International Conference on Biomedical Ontologies (ICBO) joint with the 10th Workshop on Ontologies and Data in Life Sciences (ODLS) and part of the Bolzano Summer of Knowledge (BoSK 2020), 2020

2019
Journal of Cheminformatics, ORCID, and GitHub.
J. Cheminformatics, 2019

2018
WikiPathways: a multifaceted pathway database bridging metabolomics to other omics research.
Nucleic Acids Res., 2018

CyTargetLinker app update: A flexible solution for network extension in Cytoscape.
F1000Research, 2018

Providing gene-to-variant and variant-to-gene database identifier mappings to use with BridgeDb mapping services.
F1000Research, 2018

Increasing the nanopublication recall with a BridgeDb identifier mapping service.
Proceedings of the 11th International Conference Semantic Web Applications and Tools for Life Sciences, 2018

Geospatial data and Scholia.
Proceedings of the 3rd International Workshop on Geospatial Linked Data and the 2nd Workshop on Querying the Web of Data co-located with 15th Extended Semantic Web Conference (ESWC 2018), 2018

Nanopublications: A Growing Resource of Provenance-Centric Scientific Linked Data.
Proceedings of the 14th IEEE International Conference on e-Science, 2018

2017
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics, 2017

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics, 2017

Helping to improve the practice of cheminformatics.
J. Cheminformatics, 2017

The future of metabolomics in ELIXIR.
F1000Research, 2017

Scholia and scientometrics with Wikidata.
CoRR, 2017

RDFIO: extending Semantic MediaWiki for interoperable biomedical data management.
J. Biomed. Semant., 2017

Visualizing Metabolomics Data in Directed Biological Networks.
Proceedings of the 10th International Conference on Semantic Web Applications and Tools for Health Care and Life Sciences (SWAT4LS 2017), 2017

Reliable Granular References to Changing Linked Data.
Proceedings of the Semantic Web - ISWC 2017, 2017

Scholia, Scientometrics and Wikidata.
Proceedings of the Semantic Web: ESWC 2017 Satellite Events - ESWC 2017 Satellite Events, Portorož, Slovenia, May 28, 2017

2016
Using the Semantic Web for Rapid Integration of WikiPathways with Other Biological Online Data Resources.
PLoS Comput. Biol., 2016

WikiPathways: capturing the full diversity of pathway knowledge.
Nucleic Acids Res., 2016

XMetDB: an open access database for xenobiotic metabolism.
J. Cheminformatics, 2016

Answering Scientific Questions with linked European Nanosafety Data.
Proceedings of the 9th International Conference Semantic Web Applications and Tools for Life Sciences, 2016

Linking Wikidata to the Rest of the Semantic Web.
Proceedings of the 9th International Conference Semantic Web Applications and Tools for Life Sciences, 2016

Finding Drugs with Common Downstream Effects, Using Direction Information in Biological Pathways.
Proceedings of the 9th International Conference Semantic Web Applications and Tools for Life Sciences, 2016

2015
RRegrs: an R package for computer-aided model selection with multiple regression models.
J. Cheminformatics, 2015

PubChemRDF: towards the semantic annotation of PubChem compound and substance databases.
J. Cheminformatics, 2015

Automatically visualise and analyse data on pathways using PathVisioRPC from any programming environment.
BMC Bioinform., 2015

eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment.
J. Biomed. Semant., 2015

2014

The first eNanoMapper prototype: A substance database to support safe-by-design.
Proceedings of the 2014 IEEE International Conference on Bioinformatics and Biomedicine, 2014

2013
The ChEMBL database as linked open data.
J. Cheminformatics, 2013

Applications of the InChI in cheminformatics with the CDK and Bioclipse.
J. Cheminformatics, 2013

Bioclipse-R: integrating management and visualization of life science data with statistical analysis.
Bioinform., 2013

Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery.
Proceedings of the Semantic Web - ISWC 2013, 2013

2012
Emerging practices for mapping and linking life sciences data using RDF - A case series.
J. Web Semant., 2012

Changing computational research. The challenges ahead.
Source Code Biol. Medicine, 2012

Cheminformatics.
Commun. ACM, 2012

Scientific Lenses over Linked Data: An Approach to Support Task Specific Views of the Data. A Vision.
Proceedings of the Second International Workshop on Linked Science 2012, 2012

2011
Resource description framework technologies in chemistry.
J. Cheminformatics, 2011

CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution.
J. Cheminformatics, 2011

New developments on the cheminformatics open workflow environment CDK-Taverna.
J. Cheminformatics, 2011

Linked open drug data for pharmaceutical research and development.
J. Cheminformatics, 2011

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
J. Cheminformatics, 2011

OSCAR4: a flexible architecture for chemical text-mining.
J. Cheminformatics, 2011

Linking the Resource Description Framework to cheminformatics and proteochemometrics.
J. Biomed. Semant., 2011

Elemental composition determination based on MS<sup><i>n</i></sup>.
Bioinform., 2011

2010
Towards interoperable and reproducible QSAR analyses: Exchange of datasets.
J. Cheminformatics, 2010

CDK-Taverna: an open workflow environment for cheminformatics.
BMC Bioinform., 2010

The Chemical Translation Service - a web-based tool to improve standardization of metabolomic reports.
Bioinform., 2010

2009
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services.
BMC Bioinform., 2009

Bioclipse 2: A scriptable integration platform for the life sciences.
BMC Bioinform., 2009

Linking Open Drug Data to Cheminformatics and Proteochemometrics.
Proceedings of the Workshop on Semantic Web Applications and Tools for Life Sciences, 2009

2007
Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an XML Vocabulary for Spectral Data.
J. Chem. Inf. Model., 2007

Userscripts for the Life Sciences.
BMC Bioinform., 2007

Bioclipse: an open source workbench for chemo- and bioinformatics.
BMC Bioinform., 2007

2006
On the Use of <sup>1</sup>H and <sup>13</sup>C 1D NMR Spectra as QSPR Descriptors.
J. Chem. Inf. Model., 2006

The Blue Obelisk-Interoperability in Chemical Informatics.
J. Chem. Inf. Model., 2006

2004
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators.
J. Chem. Inf. Model., 2004

2003
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics.
J. Chem. Inf. Comput. Sci., 2003


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