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Citing ChEMBL, and Data DOIs


There are now multiple formats and ways to access the ChEMBL data, and we have recently assigned DOIs to all available versions of ChEMBL (and will archive these on the ftp server, permanently).

So when you publish use of ChEMBL, could you reference the following papers:

ChEMBL Database
A. Gaulton, L. Bellis, J. Chambers, M. Davies, A. Hersey, Y. Light, S. McGlinchey, R. Akhtar, A.P. Bento, B. Al-Lazikani, D. Michalovich, & J.P. Overington (2012) ‘ChEMBL: A Large-scale Bioactivity Database For Chemical Biology and Drug Discovery’ Nucleic Acids Res. Database Issue, 40 D1100-1107. DOI:10.1093/nar/gkr777 PMID:21948594

A.P. Bento, A. Gaulton, A. Hersey, L.J. Bellis, J. Chambers, M. Davies, F.A. Krüger, Y. Light, L. Mak, S. McGlinchey, M. Nowotka, G. Papadatos, R. Santos & J.P. Overington (2014) ‘The ChEMBL bioactivity database: an update’ Nucleic Acids Res. Database Issue, 42 1083-1090. DOI:10.1093/nar/gkt103 PMID: 24214965

myChEMBL
R. Ochoa, M. Davies, G. Papadatos, F. Atkinson and J.P. Overington (2014) 'myChEMBL: A virtual machine implementation of open data and cheminformatics tools' Bioinformatics. 30 298-300. DOI10.1093/bioinformatics/btt666 PMID: 24262214

ChEMBL RDF
S. Jupp, J. Malone, J. Bolleman, M. Brandizi, M. Davies, L. Garcia, A. Gaulton, S. Gehant, C. Laibe, N. Redaschi, S.M Wimalaratne, M. Martin, N. Le Novère, H. Parkinson, E. Birney and A.M Jenkinson (2014) 'The EBI RDF Platform: Linked Open Data for the Life Sciences' Bioinformatics 30 1338-1339 DOI:10.1093/bioinformatics/btt765 PMID:24413672

Also please reference the version of ChEMBL you may have used in any published analyses, using the following DOIs:

Dataset
DOI
ChEMBL

CHEMBL01
10.6019/CHEMBL.database.01
CHEMBL02
10.6019/CHEMBL.database.02
CHEMBL03
10.6019/CHEMBL.database.03
CHEMBL04
10.6019/CHEMBL.database.04
CHEMBL05
10.6019/CHEMBL.database.05
CHEMBL06
10.6019/CHEMBL.database.06
CHEMBL07
10.6019/CHEMBL.database.07
CHEMBL08
10.6019/CHEMBL.database.08
CHEMBL09
10.6019/CHEMBL.database.09
CHEMBL10
10.6019/CHEMBL.database.10
CHEMBL11
10.6019/CHEMBL.database.11
CHEMBL12
10.6019/CHEMBL.database.12
CHEMBL13
10.6019/CHEMBL.database.13
CHEMBL14
10.6019/CHEMBL.database.14
CHEMBL15
10.6019/CHEMBL.database.15
CHEMBL16
10.6019/CHEMBL.database.16
CHEMBL17
10.6019/CHEMBL.database.17
CHEMBL18
10.6019/CHEMBL.database.18
CHEMBL19
10.6019/CHEMBL.database.19


ChEMBL-RDF

ChEMBL-RDF/16.0
10.6019/CHEMBL.RDF.16.0
ChEMBL-RDF/17.0
10.6019/CHEMBL.RDF.17.0
ChEMBL-RDF/18.0
10.6019/CHEMBL.RDF.18.0
ChEMBL-RDF/18.1
10.6019/CHEMBL.RDF.19.0


myChEMBL

myChEMBL-17_0
10.6019/CHEMBL.myCHEMBL.17.0
myChEMBL-18_0
10.6019/CHEMBL.myCHEMBL.18.0

Future releases will adhere to the following patterns. We will be modifying the attribution part of the ChEMBL license to require reporting of these DOIs in publications that use ChEMBL. We hope this will contribute to reproducibility of analyses.

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