The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
The ChEMBL database in 2017
Open accessAbstract
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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Citations
Cites
ChEMBL: a large-scale bioactivity database for drug discovery
Gaulton, A., Bellis, L. J., Bento, A. P., Chambers, J., Davies, M., Hersey, A., Light, Y., McGlinchey, S., Michalovich, D., Al-Lazikani, B., et al. (2012) · Nucleic Acids Research · doi:10.1093/nar/gkr777 · Cited by 4,382
Self-citationCan the pharmaceutical industry reduce attrition rates?
Kola, I., & Landis, J. (2004) · Nature Reviews Drug Discovery · doi:10.1038/nrd1470 · Cited by 4,167
Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework
Cook, D., Brown, D., Alexander, R., March, R., Morgan, P., Satterthwaite, G., & Pangalos, M. N. (2014) · Nature Reviews Drug Discovery · doi:10.1038/nrd4309 · Cited by 1,344
Uberon, an integrative multi-species anatomy ontology
Mungall, C. J., Torniai, C., Gkoutos, G. V., Lewis, S. E., & Haendel, M. A. (2012) · Genome biology · doi:10.1186/gb-2012-13-1-r5 · Cited by 732 · cited 2×
“It should be noted that the aim here is not to create new cell-line/tissue ontologies – entries in the ChEMBL dictionaries are imported from established vocabularies and ontologies wherever possible (e.g. Cell Line Ontology (23), Experimental Factor Ontology (EFO) (24), Cellosaurus (http://web.expasy.org/cellosaurus/)…”
BackgroundPhase II and Phase III attrition rates 2011–2012
Arrowsmith, J., & Miller, P. (2013) · Nature Reviews Drug Discovery · doi:10.1038/nrd4090 · Cited by 697
Open PHACTS: semantic interoperability for drug discovery
Williams, A. J., Harland, L., Groth, P., Pettifer, S., Chichester, C., Willighagen, E. L., Evelo, C. T., Blomberg, N., Ecker, G., Goble, C., et al. (2012) · Drug Discovery Today · doi:10.1016/j.drudis.2012.05.016 · Cited by 321
Pharos: collating protein information to shed light on the druggable genome
Nguyen, D.-T., Mathias, S., Bologa, C., Brunak, S., Fernandez, N., Gaulton, A., Hersey, A., Holmes, J., Jensen, L. J., Karlsson, A., et al. (2017) · Nucleic Acids Research · doi:10.1093/nar/gkw1072 · Cited by 279
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Cited by
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
Gordon, D. E., Jang, G. M., Bouhaddou, M., Xu, J., Obernier, K., White, K. M., O’Meara, M. J., Rezelj, V. V., Guo, J. Z., Swaney, D. L., et al. (2020) · Nature · doi:10.1038/s41586-020-2286-9 · Cited by 4,405
PubChem 2019 update: improved access to chemical data
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2019) · Nucleic Acids Research · doi:10.1093/nar/gky1033 · Cited by 3,249
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2023) · Nucleic Acids Research · doi:10.1093/nar/gkac956 · Cited by 3,443
Applications of machine learning in drug discovery and development
Vamathevan, J., Clark, D., Czodrowski, P., Dunham, I., Ferran, E., Lee, G., Li, B., Madabhushi, A., Shah, P., Spitzer, M., et al. (2019) · Nature Reviews Drug Discovery · doi:10.1038/s41573-019-0024-5 · Cited by 3,228
ChEMBL: towards direct deposition of bioassay data
Mendez, D., Gaulton, A., Bento, A. P., Chambers, J., De Veij, M., Félix, E., Magariños, M. P., Mosquera, J. F., Mutowo, P., Nowotka, M., et al. (2019) · Nucleic Acids Research · doi:10.1093/nar/gky1075 · Cited by 2,372
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Metadata
- Authors
- Gaulton, A., Hersey, A., Nowotka, M., Bento, A. P., Chambers, J., Mendez, D., Mutowo, P., Atkinson, F., Bellis, L. J., Cibrián-Uhalte, E., Davies, M., Dedman, N., Karlsson, A., Magariños, M. P., Overington, J. P., Papadatos, G., Smit, I., & Leach, A. R.
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2016-11-28
- Volume
- 45
- Issue
- D1
- Pages
- D945-D954
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- OpenAlex
- W2558999090
- Cited by
- 2,330
- References
- 7
- FWCI
- 129.81
- Type
- journal article
- Language
- en
- Open access
- gold
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- CoChat. (2026). Citation check: The ChEMBL database in 2017. https://app.cochat.ai/papers/10.1093/nar/gkw1074
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- Gaulton, A., Hersey, A., Nowotka, M., Bento, A. P., Chambers, J., Mendez, D., Mutowo, P., Atkinson, F., Bellis, L. J., Cibrián-Uhalte, E., Davies, M., Dedman, N., Karlsson, A., Magariños, M. P., Overington, J. P., Papadatos, G., Smit, I., & Leach, A. R. (2017). The ChEMBL database in 2017. Nucleic Acids Research. https://doi.org/10.1093/nar/gkw1074
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
