Open Access
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods
Barbara Zdrazil
1
,
Eloy Felix
1
,
Fiona Hunter
1
,
Emma J. Manners
1
,
James Blackshaw
1
,
Sybilla Corbett
1
,
Marleen De Veij
1
,
Harris Ioannidis
1
,
David Mendez Lopez
1
,
Juan F Mosquera
1
,
Maria Paula Magarinos
1
,
Nicolas Bosc
1
,
Ricardo Arcila
1
,
Tevfik Kizilören
1
,
Anna Gaulton
1
,
A Patrícia Bento
1
,
Melissa F Adasme
1
,
Peter Monecke
2
,
Gregory A Landrum
3
,
Andrew R Leach
1
2
Sanofi, R&D, Preclinical Safety , Industriepark Höchst , 65926 Frankfurt am Main , Germany
|
Publication type: Journal Article
Publication date: 2023-11-02
scimago Q1
wos Q1
SJR: 7.776
CiteScore: 31.7
Impact factor: 13.1
ISSN: 03051048, 13624962
PubMed ID:
37933841
Genetics
Abstract
ChEMBL (https://www.ebi.ac.uk/chembl/) is a manually curated, high-quality, large-scale, open, FAIR and Global Core Biodata Resource of bioactive molecules with drug-like properties, previously described in the 2012, 2014, 2017 and 2019 Nucleic Acids Research Database Issues. Since its introduction in 2009, ChEMBL’s content has changed dramatically in size and diversity of data types. Through incorporation of multiple new datasets from depositors since the 2019 update, ChEMBL now contains slightly more bioactivity data from deposited data vs data extracted from literature. In collaboration with the EUbOPEN consortium, chemical probe data is now regularly deposited into ChEMBL. Release 27 made curated data available for compounds screened for potential anti-SARS-CoV-2 activity from several large-scale drug repurposing screens. In addition, new patent bioactivity data have been added to the latest ChEMBL releases, and various new features have been incorporated, including a Natural Product likeness score, updated flags for Natural Products, a new flag for Chemical Probes, and the initial annotation of the action type for ∼270 000 bioactivity measurements.
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783
Total citations:
783
Citations from 2025:
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(75.32%)
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Zdrazil B. et al. The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods // Nucleic Acids Research. 2023. Vol. 52. No. D1. p. D1180-D1192.
GOST all authors (up to 50)
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Zdrazil B., Felix E., Hunter F., Manners E. J., Blackshaw J., Corbett S., De Veij M., Ioannidis H., Lopez D. M., Mosquera J. F., Magarinos M., Bosc N., Arcila R., Kizilören T., Gaulton A., Bento A. P., Adasme M. F., Monecke P., Landrum G. A., Leach A. R. The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods // Nucleic Acids Research. 2023. Vol. 52. No. D1. p. D1180-D1192.
Cite this
RIS
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TY - JOUR
DO - 10.1093/nar/gkad1004
UR - https://doi.org/10.1093/nar/gkad1004
TI - The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods
T2 - Nucleic Acids Research
AU - Zdrazil, Barbara
AU - Felix, Eloy
AU - Hunter, Fiona
AU - Manners, Emma J.
AU - Blackshaw, James
AU - Corbett, Sybilla
AU - De Veij, Marleen
AU - Ioannidis, Harris
AU - Lopez, David Mendez
AU - Mosquera, Juan F
AU - Magarinos, Maria Paula
AU - Bosc, Nicolas
AU - Arcila, Ricardo
AU - Kizilören, Tevfik
AU - Gaulton, Anna
AU - Bento, A Patrícia
AU - Adasme, Melissa F
AU - Monecke, Peter
AU - Landrum, Gregory A
AU - Leach, Andrew R
PY - 2023
DA - 2023/11/02
PB - Oxford University Press
SP - D1180-D1192
IS - D1
VL - 52
PMID - 37933841
SN - 0305-1048
SN - 1362-4962
ER -
Cite this
BibTex (up to 50 authors)
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@article{2023_Zdrazil,
author = {Barbara Zdrazil and Eloy Felix and Fiona Hunter and Emma J. Manners and James Blackshaw and Sybilla Corbett and Marleen De Veij and Harris Ioannidis and David Mendez Lopez and Juan F Mosquera and Maria Paula Magarinos and Nicolas Bosc and Ricardo Arcila and Tevfik Kizilören and Anna Gaulton and A Patrícia Bento and Melissa F Adasme and Peter Monecke and Gregory A Landrum and Andrew R Leach},
title = {The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods},
journal = {Nucleic Acids Research},
year = {2023},
volume = {52},
publisher = {Oxford University Press},
month = {nov},
url = {https://doi.org/10.1093/nar/gkad1004},
number = {D1},
pages = {D1180--D1192},
doi = {10.1093/nar/gkad1004}
}
Cite this
MLA
Copy
Zdrazil, Barbara, et al. “The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.” Nucleic Acids Research, vol. 52, no. D1, Nov. 2023, pp. D1180-D1192. https://doi.org/10.1093/nar/gkad1004.