PubChem 2025 update

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a large and highly-integrated public chemical database resource at NIH. In the past two years, significant updates were made to PubChem. With additions from over 130 new sources, PubChem contains >1000 data sources, 119 million compounds, 322 million substances and 295 million bioactivities. New interfaces, such as the consolidated literature panel and the patent knowledge panel, were developed. The consolidated literature panel combines all references about a compound into a single list, allowing users to easily find, sort, and export all relevant articles for a chemical in one place. The patent knowledge panels for a given query chemical or gene display chemicals, genes, and diseases co-mentioned with the query in patent documents, helping users to explore relationships between co-occurring entities within patent documents. PubChemRDF was expanded to include the co-occurrence data underlying the literature knowledge panel, enabling users to exploit semantic web technologies to explore entity relationships based on the co-occurrences in the scientific literature. The usability and accessibility of information on chemicals with non-discrete structures (e.g. biologics, minerals, polymers, UVCBs and glycans) were greatly improved with dedicated web pages that provide a comprehensive view of all available information in PubChem for these chemicals.

Authors

Institutions

Publication Details

Journal
Nucleic Acids Research
Published
2024-11-18
DOI
https://doi.org/10.1093/nar/gkae1059
Citations
767
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
277.21

Funders

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article

PubChem 2025 update

Benjamin A. Shoemaker, Evan Bolton, Jia He, Paul Thiessen et al.
767 citations
Nucleic Acids Research
Computational Drug Discovery Methods
277.21
article

PubChem 2025 update

Benjamin A. Shoemaker, Evan Bolton, Jia He, Paul Thiessen, Siqian He, Leonid Zaslavsky, Tiejun Cheng, Asta Gindulytė, Jian Zhang, Bo Yu, Jie Chen, Sunghwan Kim, Qingliang Li
article en
767 citations

Abstract

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a large and highly-integrated public chemical database resource at NIH. In the past two years, significant updates were made to PubChem. With additions from over 130 new sources, PubChem contains >1000 data sources, 119 million compounds, 322 million substances and 295 million bioactivities. New interfaces, such as the consolidated literature panel and the patent knowledge panel, were developed. The consolidated literature panel combines all references about a compound into a single list, allowing users to easily find, sort, and export all relevant articles for a chemical in one place. The patent knowledge panels for a given query chemical or gene display chemicals, genes, and diseases co-mentioned with the query in patent documents, helping users to explore relationships between co-occurring entities within patent documents. PubChemRDF was expanded to include the co-occurrence data underlying the literature knowledge panel, enabling users to exploit semantic web technologies to explore entity relationships based on the co-occurrences in the scientific literature. The usability and accessibility of information on chemicals with non-discrete structures (e.g. biologics, minerals, polymers, UVCBs and glycans) were greatly improved with dedicated web pages that provide a comprehensive view of all available information in PubChem for these chemicals.

Nucleic Acids ResearchVol. 53(D1)
National Institutes of Health (US), National Center for Biotechnology Information (US)
National Institutes of Health, U.S. National Library of Medicine, Centro Nacional de Biotecnología
Partnerships for the goals
Openalex Percentile: Top 0%
Computational Drug Discovery Methods
277.21
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