PubChem in 2021: new data content and improved web interfaces

2020/10/12 by Sunghwan Kim, Jie Chen, Tiejun Cheng +10 · 44 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · #Computational Drug Discovery Methods #Metabolomics and Mass Spectrometry Studies #Various Chemistry Research Topics

paper · pdf · doi:10.1093/nar/gkaa971

openalex publication_date 2020/10/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well as the general public, with millions of unique users per month. In the past two years, PubChem made substantial improvements. Data from more than 100 new data sources were added to PubChem, including chemical-literature links from Thieme Chemistry, chemical and physical property links from SpringerMaterials, and patent links from the World Intellectual Properties Organization (WIPO). PubChem's homepage and individual record pages were updated to help users find desired information faster. This update involved a data model change for the data objects used by these pages as well as by programmatic users. Several new services were introduced, including the PubChem Periodic Table and Element pages, Pathway pages, and Knowledge panels. Additionally, in response to the coronavirus disease 2019 (COVID-19) outbreak, PubChem created a special data collection that contains PubChem data related to COVID-19 and the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

Citations

• Pharmacogenomics Knowledge for Personalized Medicine
• Clinical Characteristics of Coronavirus Disease 2019 in China
• Presenting Characteristics, Comorbidities, and Outcomes Among 5700 Patients Hospitalized With COVID-19 in the New York City Area

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