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Barbara Zdrazil, Eloy Félix, Fiona M. I. Hunter, Emma Jayne Manners, James Blackshaw, Sybilla Corbett, Marleen De Veij, Harris Ioannidis, David Méndez, Juan Felipe Mosquera Morales and 10 more
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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Zdrazil, B., Félix, E., Hunter, F. M. I., Manners, E. J., Blackshaw, J., Corbett, S., Veij, M. D., Ioannidis, H., Méndez, D., Morales, J. F. M., Magariños, M. P., Bosc, N., Arcila, R., Kizilören, T., Gaulton, A., Bento, A. P., Adasme, M. F., Monecke, P., Landrum, G. A., & Leach, A. R. (2023). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Research, 52(D1), D1180–D1192. https://doi.org/10.1093/nar/gkad1004
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, 2023, pp. D1180–D1192, https://doi.org/10.1093/nar/gkad1004.
Zdrazil, Barbara, Eloy Félix, Fiona M. I. Hunter, Emma Jayne Manners, James Blackshaw, Sybilla Corbett, Marleen De Veij, et al. "The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods." Nucleic Acids Research 52, no. D1 (2023): D1180–D1192. https://doi.org/10.1093/nar/gkad1004.
Zdrazil B., Félix E., Hunter F. M. I. [и др.] The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods // Nucleic Acids Research. — 2023. — Vol. 52, № D1. — P. D1180–D1192. — URL: https://doi.org/10.1093/nar/gkad1004
@article{zdrazil2023chembl,
title = {{The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods}},
author = {Barbara Zdrazil and Eloy Félix and Fiona M. I. Hunter and Emma Jayne Manners and James Blackshaw and Sybilla Corbett and Marleen De Veij and Harris Ioannidis and David Méndez and Juan Felipe Mosquera Morales and María Paula Magariños 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},
journal = {Nucleic Acids Research},
year = {2023},
volume = {52},
number = {D1},
pages = {D1180--D1192},
doi = {10.1093/nar/gkad1004},
url = {https://doi.org/10.1093/nar/gkad1004}
}TY - JOUR AU - Zdrazil, Barbara AU - Félix, Eloy AU - Hunter, Fiona M. I. AU - Manners, Emma Jayne AU - Blackshaw, James AU - Corbett, Sybilla AU - Veij, Marleen De AU - Ioannidis, Harris AU - Méndez, David AU - Morales, Juan Felipe Mosquera AU - Magariños, María 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. TI - The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods JO - Nucleic Acids Research VL - 52 IS - D1 SP - D1180 EP - D1192 PY - 2023 DA - 2023/10/23 DO - 10.1093/nar/gkad1004 UR - https://doi.org/10.1093/nar/gkad1004 ER -
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