PubChem Provides Chemical Structures of Small Organic Molecules

In 2002 the National Institutes of Health (NIH) began to chart its NIH Roadmap Initiative http://nihroadmap.nih.gov/, creating new tools and technologies to accelerate complex biomedical research. As part of this endeavor, the PubChem project was developed. PubChem consists of three linked databases that contain the chemical structures of small organic molecules and information on their biological activities. The databases are:

PubChem Compound

Allows a Molecular Name search, Chemical Property Range search, and a Simple Elemental search. Searching can be performed from many different entry points, including chiral centers, hydrogen bond donors/acceptors, total formal charge, and tautomer. The database also enables researchers to identify compounds similar to those being studied.

PubChem Substance

Includes the same entry points as PubChemCompound. The database allows a Molecule Synonym search, Biology Links search or a combination of the two. It also provides chemical descriptions, links to PubMed, protein 3D structures, and biological screening results.

PubChem BioAssay

Allows you to search for BioAssay Data Sets and browse or download PubChem BioAssay results. The descriptions of the bioassay are also searchable.

In addition, PubChem also provides PubChem Structure Search, a chemical structure similarity search tool that links to the PubChem Compound and PubChem Substance databases.

PubChem can be accessed through the HSLS Datatbases by Title Web page at www.hsls.pitt.edu/resources/databases/titles.

--Linda Hartman


Links and information are up-to-date when published but are not updated after publication.

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