PubChem, hosted by the National Institutes of Health (NIH), is a public database dedicated to chemistry. Its openness allows both the contribution of scientific data by users and its utilization by others. Since its inception in 2004, PubChem has emerged as a crucial resource for chemists, researchers, students, and the general public, drawing several million users globally each month through its website and programmatic services.
Visit the PubChem page for the latest updates.
Predominantly featuring small molecules, PubChem’s database also encompasses larger molecules like nucleotides, carbohydrates, lipids, peptides, and modified macromolecules. It aggregates a diverse array of data, including chemical structures, identifiers, physical and chemical properties, biological activities, patents, and information on health, safety, and toxicity.
PubChem’s records are sourced from numerous contributors, including government bodies, chemical suppliers, journal publishers, and others.
To stay updated on PubChem’s ever-expanding data repository, check the PubChem Statistics page for the latest figures.
Integration with NCBI Entrez Interface:
Previously, navigating multiple Entrez text search interfaces (separate ones for compounds, substances, and bioassays), the structure search interface, content pages, and homepage was challenging for many users. Additionally, Entrez did not support newer PubChem content like patents.
To enhance user experience, PubChem now offers a unified chemical search interface on its homepage. This interface facilitates text searches across all PubChem datasets and includes structure and molecular formula search capabilities.
While PubChem continues to provide access to the Entrez interface, users can now easily switch to “Use Entrez” from the search interface, choosing from one of three Entrez databases. Direct navigation to these databases is also available through the following links:
- PubChem Compound in Entrez
- PubChem Substance in Entrez
- PubChem BioAssay in Entrez
The Entrez database interfaces on PubChem offer advanced features, including a wide range of indexes, filters, and a robust query language, which are not available in the standard PubChem search interface.