Open Access
The ChEMBL database in 2017
Anna Gaulton
1
,
Anne Hersey
1
,
Michał Nowotka
1
,
A Patrícia Bento
2
,
Jon Chambers
1
,
David Méndez
1
,
Prudence Mutowo
1
,
Francis Atkinson
1
,
L.J. Bellis
1
,
Elena Cibrián Uhalte
1
,
Mark Davies
1
,
Nathan Dedman
1
,
Anneli Karlsson
1
,
María Paula Magariños
2
,
John P Overington
1
,
George Papadatos
1
,
Ines Smit
1
,
Andrew R Leach
1
Publication type: Journal Article
Publication date: 2016-11-28
scimago Q1
wos Q1
SJR: 7.776
CiteScore: 31.7
Impact factor: 13.1
ISSN: 03051048, 13624962
PubMed ID:
27899562
Genetics
Abstract
ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 and 2014 Nucleic Acids Research Database Issues. Since then, alongside the continued extraction of data from the medicinal chemistry literature, new sources of bioactivity data have also been added to the database. These include: deposited data sets from neglected disease screening; crop protection data; drug metabolism and disposition data and bioactivity data from patents. A number of improvements and new features have also been incorporated. These include the annotation of assays and targets using ontologies, the inclusion of targets and indications for clinical candidates, addition of metabolic pathways for drugs and calculation of structural alerts. The ChEMBL data can be accessed via a web-interface, RDF distribution, data downloads and RESTful web-services.
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Total citations:
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GOST
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Gaulton A. et al. The ChEMBL database in 2017 // Nucleic Acids Research. 2016. Vol. 45. No. D1. p. D945-D954.
GOST all authors (up to 50)
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Gaulton A., Hersey A., Nowotka M., Bento A. P., Chambers J., Méndez D., Mutowo P., Atkinson F., Bellis L., Cibrián Uhalte E., Davies M., Dedman N., Karlsson A., Magariños M. P., Overington J. P., Papadatos G., Smit I., Leach A. R. The ChEMBL database in 2017 // Nucleic Acids Research. 2016. Vol. 45. No. D1. p. D945-D954.
Cite this
RIS
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TY - JOUR
DO - 10.1093/nar/gkw1074
UR - https://doi.org/10.1093/nar/gkw1074
TI - The ChEMBL database in 2017
T2 - Nucleic Acids Research
AU - Gaulton, Anna
AU - Hersey, Anne
AU - Nowotka, Michał
AU - Bento, A Patrícia
AU - Chambers, Jon
AU - Méndez, David
AU - Mutowo, Prudence
AU - Atkinson, Francis
AU - Bellis, L.J.
AU - Cibrián Uhalte, Elena
AU - Davies, Mark
AU - Dedman, Nathan
AU - Karlsson, Anneli
AU - Magariños, María Paula
AU - Overington, John P
AU - Papadatos, George
AU - Smit, Ines
AU - Leach, Andrew R
PY - 2016
DA - 2016/11/28
PB - Oxford University Press
SP - D945-D954
IS - D1
VL - 45
PMID - 27899562
SN - 0305-1048
SN - 1362-4962
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2016_Gaulton,
author = {Anna Gaulton and Anne Hersey and Michał Nowotka and A Patrícia Bento and Jon Chambers and David Méndez and Prudence Mutowo and Francis Atkinson and L.J. Bellis and Elena Cibrián Uhalte and Mark Davies and Nathan Dedman and Anneli Karlsson and María Paula Magariños and John P Overington and George Papadatos and Ines Smit and Andrew R Leach},
title = {The ChEMBL database in 2017},
journal = {Nucleic Acids Research},
year = {2016},
volume = {45},
publisher = {Oxford University Press},
month = {nov},
url = {https://doi.org/10.1093/nar/gkw1074},
number = {D1},
pages = {D945--D954},
doi = {10.1093/nar/gkw1074}
}
Cite this
MLA
Copy
Gaulton, Anna, et al. “The ChEMBL database in 2017.” Nucleic Acids Research, vol. 45, no. D1, Nov. 2016, pp. D945-D954. https://doi.org/10.1093/nar/gkw1074.