PubChem -- A database of chemical structures of small organic molecules

URL:
http://pubchem.ncbi.nlm.nih.gov/
What you can do:
Search for chemical structures of small organic molecules and information on their biological activities.
Highlights:
  • PubChem is a public repository for biological properties of small molecules hosted by the US National Institutes of Health (NIH).
  • PubChem BioAssay database currently contains biological test results for more than 700 000 compounds.
  • The goal of PubChem is to make this information easily accessible to biomedical researchers.
  • It is a set of web servers to facilitate and optimize the utility of biological activity information within PubChem.
  • These web-based services provide tools for rapid data retrieval, integration and comparison of biological screening results, exploratory structure-activity analysis, and target selectivity examination.
  • The PubChem BioAssay database is a public repository for biological activities of small molecules and small interfering RNAs (siRNAs) hosted by the US National Institutes of Health (NIH).
  • It archives experimental descriptions of assays and biological test results and makes the information freely accessible to the public.
  • A PubChem BioAssay data entry includes an assay description, a summary and detailed test results.
  • Each assay record is linked to the molecular target, whenever possible, and is cross-referenced to other National Center for Biotechnology Information (NCBI) database records.
  • 'Related BioAssays' are identified by examining the assay target relationship and activity profile of commonly tested compounds.
  • A key goal of PubChem BioAssay is to make the biological activity information easily accessible through the NCBI information retrieval system-Entrez, and various web-based PubChem services.
Keywords:
  • small organic molecules
  • small organic molecule structures
  • ligands
  • ligand structures
  • bioassay
  • assay
  • small interfering RNA
  • siRNA
Literature & Tutorials:
PubMed Link: PubChem: a public information system for analyzing bioactivities of small molecules
-- 2010 Update: PubMed Link: An overview of the PubChem BioAssay resource
This record last updated: 02-01-2010
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