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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