Evidence map›Paper›PMID 23657106›Full record

ArticleJournal of cheminformatics2013

The ChEMBL database as linked open data.

Egon L Willighagen, Andra Waagmeester, Ola Spjuth, Peter Ansell, Antony J Williams, Valery Tkachenko, Janna Hastings, Bin Chen, David J Wild

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 48 papers.

0numbers the graph read from it
0cells of the map it votes in
48citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

48 citing papers in PubMed.

  1. tmQM-RDF Data Set: A Knowledge Graph Representing Transition Metal Complexes.Journal of chemical information and modeling · 2026
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  9. Chemical Species Ontology for Data Integration and Knowledge Discovery.Journal of chemical information and modeling · 2023
    Article
  10. Review
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  17. IDSM ChemWebRDF: SPARQLing small-molecule datasets.Journal of cheminformatics · 2021
    Article
  18. Article
  19. Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Egon L WillighagenDepartment of Bioinformatics - BiGCaT, Maastricht University, P,O, Box 616, UNS50 Box 19, NL-6200 MD, Maastricht, The Netherlands. egon.willighagen@maastrichtuniversity.nl.
Andra Waagmeester
Ola Spjuth
Peter Ansell
Antony J Williams
Valery Tkachenko
Janna Hastings
Bin Chen
David J Wild

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

backgroundMaking data available as Linked Data using Resource Description Framework (RDF) promotes integration with other web resources. RDF documents can natively link to related data, and others can link back using Uniform Resource Identifiers (URIs). RDF makes the data machine-readable and uses extensible vocabularies for additional information, making it easier to scale up inference and data analysis.

resultsThis paper describes recent developments in an ongoing project converting data from the ChEMBL database into RDF triples. Relative to earlier versions, this updated version of ChEMBL-RDF uses recently introduced ontologies, including CHEMINF and CiTO; exposes more information from the database; and is now available as dereferencable, linked data. To demonstrate these new features, we present novel use cases showing further integration with other web resources, including Bio2RDF, Chem2Bio2RDF, and ChemSpider, and showing the use of standard ontologies for querying.

conclusionsWe have illustrated the advantages of using open standards and ontologies to link the ChEMBL database to other databases. Using those links and the knowledge encoded in standards and ontologies, the ChEMBL-RDF resource creates a foundation for integrated semantic web cheminformatics applications, such as the presented decision support.

Identifiers

PMID23657106
PMCPMC3700754

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LicenceCC BY
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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.