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.

Comments

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