PubChem

A free chemistry database maintained by the National Center for Biotechnology Information (NCBI)

Overview

The logo of PubChem

PubChem is a free chemistry database maintained by the National Center for Biotechnology Information (NCBI), a component of the United States National Library of Medicine, which is part of the National Institutes of Health (NIH). It provides information on the biological activities of small molecules and is a key resource for researchers in the fields of chemistry, biology, and pharmacology.

History

PubChem was launched in 2004 as part of the NIH's initiative to provide open access to chemical information. It was developed to support the NIH Roadmap for Medical Research and has since become one of the most comprehensive chemical databases available.

Features

PubChem contains three primary databases:

• PubChem Substance: Contains records provided by depositors, including chemical vendors, government agencies, and academic institutions.
• PubChem Compound: Provides unique chemical structures derived from the PubChem Substance database.
• PubChem BioAssay: Contains bioactivity results from high-throughput screening experiments.

Chemical Information

PubChem provides detailed chemical information, including:

• Chemical structure
• Molecular weight
• Chemical formula
• IUPAC name
• SMILES and InChI identifiers

Biological Activities

The database includes information on the biological activities of small molecules, which is useful for drug discovery and development. Researchers can access data on:

• Bioassay results
• Pharmacology
• Toxicology

Applications

PubChem is widely used in various fields, including:

• Drug discovery: Researchers use PubChem to identify potential drug candidates and understand their biological activities.
• Chemical informatics: The database supports cheminformatics research by providing a vast amount of chemical data.
• Education: PubChem is a valuable resource for teaching chemistry and biology, offering students access to a wealth of chemical information.

Access and Tools

PubChem is accessible through a web interface, allowing users to search for chemical substances, compounds, and bioassays. It also provides programmatic access via APIs for automated data retrieval and analysis.

Related pages

• ChemSpider
• ChEMBL
• DrugBank
• ZINC database