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List of works by Egon Willighagen

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The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

scientific article from 2003
WikiPathways: a multifaceted pathway database bridging metabolomics to other omics research

scientific article published on 10 November 2017
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

scientific article
The Blue Obelisk-interoperability in chemical informatics

peer-reviewed research article
WikiPathways: capturing the full diversity of pathway knowledge

research paper from 2016 about the WikiPathways database
Open PHACTS: semantic interoperability for drug discovery

scientific article (publication date: November 2012)
CiteULike CiTO annotations

dataset
Adverse outcome pathways: opportunities, limitations and open questions

scientific article published on 19 October 2017
CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

scientific article published on 13 May 2022
The LOTUS initiative for open knowledge management in natural products research

scholarly article by Adriano Rutz et al. published in May 2022
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

scientific article
A resource to explore the discovery of rare diseases and their causative genes

scientific article
Scholia, Scientometrics and Wikidata

scientific article published on October 2017
The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reports

peer-reviewed article
Linked open drug data for pharmaceutical research and development

scientific article
OSCAR4: a flexible architecture for chemical text-mining

scientific article
Bioclipse: an open source workbench for chemo- and bioinformatics

scientific article published on 22 February 2007
Wikidata and Scholia as a hub linking chemical knowledge

poster presented at 11th International Conference on Chemical Structures
CyTargetLinker app update: A flexible solution for network extension in Cytoscape

scientific article published on 14 June 2018
WikiPathways: connecting communities

scientific article published on 19 November 2020
JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures

scientific article
The ChEMBL database as linked open data

scientific article (publication date: 2013)
The Chemical Information Ontology: provenance and disambiguation for chemical data on the biological semantic web

scientific article
Elemental composition determination based on MSn

scientific article
SPLASH, a hashed identifier for mass spectra

scientific article
Bioclipse 2: a scriptable integration platform for the life sciences

scientific article
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

scientific article published in 2011
eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment

scientific article published on March 21, 2015
Scholia and scientometrics with Wikidata

scientific article (publication date: 13 March 2017)
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases

article in the Journal of Cheminformatics
A transcriptomics data-driven gene space accurately predicts liver cytopathology and drug-induced liver injury

scientific article from 2017
Wikidata as a knowledge graph for the life sciences

scientific article published on 17 March 2020
CDK-Taverna: an open workflow environment for cheminformatics

scientific article
COVID-19 Disease Map, building a computational repository of SARS-CoV-2 virus-host interaction mechanisms

scientific article published on 05 May 2020
The eNanoMapper database for nanomaterial safety information

scientific article
Robustifying Scholia: paving the way for knowledge discovery and research assessment through Wikidata

proposal for 2019-20 research published in RIO Journal
FAIR Principles: Interpretations and Implementation Considerations

scholarly article
Towards interoperable and reproducible QSAR analyses: Exchange of datasets

scientific article (publication date: 2010)
Enabling Open Science: Wikidata for Research (Wiki4R)

scientific article
Emerging practices for mapping and linking life sciences data using RDF — A case series

scientific article
The metaRbolomics Toolbox in Bioconductor and beyond

scientific article published on 23 September 2019
Using the Semantic Web for Rapid Integration of WikiPathways with Other Biological Online Data Resources

scientific article
Cationic Gemini Surfactants Based on Tartaric Acid: Synthesis, Aggregation, Monolayer Behaviour, and Interaction with DNA

scientific article (publication date: April 2002)
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators

scientific article
The ToxBank Data Warehouse: Supporting the Replacement of In Vivo Repeated Dose Systemic Toxicity Testing

scientific article (publication date: 2013)
RRegrs: an R package for computer-aided model selection with multiple regression models

scientific article (publication date: 2015)
Geospatial data and Scholia

scholarly article
A data fusion pipeline for generating and enriching Adverse Outcome Pathway descriptions

scientific article published on 15 November 2017
NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

scientific article published on 07 March 2020
Integration among databases and data sets to support productive nanotechnology: challenges and recommendations

journal article published in 2018

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