The DOI matches its Crossref record; 58 of the 58 references it cites were found in a registry or an index.
PubChem 2023 update
Open accessAbstract
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves a wide range of use cases. In the past two years, a number of changes were made to PubChem. Data from more than 120 data sources was added to PubChem. Some major highlights include: the integration of Google Patents data into PubChem, which greatly expanded the coverage of the PubChem Patent data collection; the creation of the Cell Line and Taxonomy data collections, which provide quick and easy access to chemical information for a given cell line and taxon, respectively; and the update of the bioassay data model. In addition, new functionalities were added to the PubChem programmatic access protocols, PUG-REST and PUG-View, including support for target-centric data download for a given protein, gene, pathway, cell line, and taxon and the addition of the ‘standardize’ option to PUG-REST, which returns the standardized form of an input chemical structure. A significant update was also made to PubChemRDF. The present paper provides an overview of these changes.
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“Mathematical modeling of multi-objective decision-making has been prevalent since the 1960s (99).”
From Artificial Intelligence for Drug Discovery: Are We There Yet? (2024) · cites this paper as [99]
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Citations
Cites
Gene Ontology: tool for the unification of biology
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Database resources of the National Center for Biotechnology Information: update
Wheeler, D. L. (2003) · Nucleic Acids Research · doi:10.1093/nar/gkh073 · Cited by 10,695
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UniProt: the universal protein knowledgebase in 2021
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Database resources of the National Center for Biotechnology Information
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Self-citationPubChem Substance and Compound databases
Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, B. A., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv951 · Cited by 5,436
Self-citationPubChem in 2021: new data content and improved web interfaces
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa971 · Cited by 3,953
Self-citationThe Gene Ontology resource: enriching a GOld mine
The Gene Ontology Consortium, Carbon, S., Douglass, E., Good, B. M., Unni, D. R., Harris, N. L., Mungall, C. J., Basu, S., Chisholm, R. L., Dodson, R. J., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa1113 · Cited by 3,555
Self-citationPubChem 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
Self-citationNCBI Taxonomy: a comprehensive update on curation, resources and tools
Schoch, C. L., Ciufo, S., Domrachev, M., Hotton, C. L., Kannan, S., Khovanskaya, R., Leipe, D., Mcveigh, R., O’Neill, K., Robbertse, B., et al. (2020) · Database · doi:10.1093/database/baaa062 · Cited by 2,635
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Kim, S., Chen, J., Cheng, T., Gindulytė, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2024) · Nucleic Acids Research · doi:10.1093/nar/gkae1059 · Cited by 1,432
Self-citationFu, L., Shi, S., Yi, J., Wang, N., He, Y., Wu, Z., Peng, J., Deng, Y., Wang, W., Wu, C., et al. (2024) · Nucleic Acids Research · doi:10.1093/nar/gkae236 · Cited by 1,396
Boltz-2: Towards Accurate and Efficient Binding Affinity PredictionPreprint
Passaro, S., Corso, G., Wohlwend, J., Reveiz, M., Thaler, S., Somnath, V. R., Getz, N., Portnoi, T., Roy, J., Stark, H., et al. (2025) · bioRxiv (Cold Spring Harbor Laboratory) · doi:10.1101/2025.06.14.659707 · Cited by 940
Self-Driving Laboratories for Chemistry and Materials Science
Tom, G., Schmid, S. P., Baird, S. G., Cao, Y., Darvish, K., Hao, H., Lo, S., Pablo-García, S., Rajaonson, E. M., Skreta, M., et al. (2024) · Chemical Reviews · doi:10.1021/acs.chemrev.4c00055 · Cited by 707
TTD: Therapeutic Target Database describing target druggability information
Zhou, Y., Zhang, Y., Zhao, D., Yu, X., Shen, X., Zhou, Y., Wang, S., Qiu, Y., Chen, Y., & Zhu, F. (2023) · Nucleic Acids Research · doi:10.1093/nar/gkad751 · Cited by 683
Metadata
- Authors
- Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., Zaslavsky, L., Zhang, J., & Bolton, E. E.
- Affiliations
- National Institutes of Health (US)
- National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services , Bethesda , MD, 20894, USA
- Corresponding author
- Bolton, Evan E
- ORCID
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2022-10-28
- Volume
- 51
- Issue
- D1
- Pages
- D1373-D1380
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- PMC
- PMC9825602
- OpenAlex
- W4307468223
- Cited by
- 3,443
- References
- 58
- Citations by year
- 2026: 811 · 2025: 1150 · 2024: 1094 · 2023: 379 · 2022: 2
- FWCI
- 356.78
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- other-oa
- Locations
- Nucleic Acids Research (publishedVersion, other-oa)
- PubMed Central (publishedVersion)
- PubMed (publishedVersion)
- Funders
- National Center for Biotechnology Information of the National Library of Medicine
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Health Sciences › Medicine › Health Informatics › Biomedical Text Mining and Ontologies
- Physical Sciences › Computer Science › Information Systems › Research Data Management Practices
- Keywords
- PubChem, chemical information resources, patent information
- MeSH terms
- Cheminformatics, Biological Assay, Proteins, Drug Discovery, Databases, Chemical
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