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PubChem is a free database of chemical compounds . PubChem is maintained by the National Center for Biotechnology Information of the United States ( National Center for Biotechnology Information , NCBI), a component of the US National Medical Library ( United States National Library of Medicine , NLM), which is part of the National Institute of Health of the United States ( National Institutes of Health , NIH) is.


PubChem consists of three interconnected databases:

  • PubChem Substance (180 million entries): structural formulas, synonyms, identification codes and descriptions
  • PubChem Compound (63 million entries): Validated chemical information to describe the entries of the substances in the PubChem Substance database
  • PubChem BioAssay (1 million entries): Data from bioactivity tests of chemical compounds in the PubChem Substance database.

PubChem is connected to the other databases of the Entrez portal such as B. PubMed linked. In addition to the usual features for a text search, PubChem offers a structure and substructure search based on drawn structural formulas. Alternatively, a structure can also be read in via a file.

More than 50 external databases contribute to the growth of PubChem. Most of the data come from Angene Chemical from Hong Kong, AKos from Germany and the ChemSpider and ChEMBL databases .

See also

Web links

Individual evidence

  1. unknown: DATABASE: Small-Molecule Central. In: Science . 306, 2004, pp. 787a-787a, doi : 10.1126 / science.306.5697.787a .
  2. PubChem Overview
  3. ^ PubChem Substance Data Source Information