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  1. pubchem.ncbi.nlm.nih.govPubChem

    PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.

  2. pubchem.ncbi.nlm.nih.gov › docs › compoundsCompounds - PubChem

    PubChem Compound records are derived summaries that give users access to a rich set of related content. Compound records contain unique chemical structures extracted from contributed Substance records through standardization.

  3. pubchem.ncbi.nlm.nih.gov › search › searchPubChem Structure Search

    PubChem Structure Search. Search By: Name/. Text. Identity/. Similarity.

  4. en.wikipedia.org › wiki › PubChemPubChem - Wikipedia

    PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine , which is part of the United States National Institutes of Health (NIH).

  5. pubchem.ncbi.nlm.nih.gov › docs › structure-searchStructure Search - PubChem

    PubChem Structure Search allows the PubChem Compound Database to be queried by chemical structure or chemical structure pattern.

  6. pubchem.ncbi.nlm.nih.gov › search › help_searchThe PubChem Compound Help

    The search database consists of pre-calculated 3D conformers of compounds in the PubChem Compound database. Currently, up to 3 conformers per compound are in the search database. A 3D conformer search job will look for the chemicals in the PubChem Compound database that have 3d conformers structurally similar to the query conformer.

  7. Jan 4, 2016 · PubChem consists of three inter-linked databases, Substance, Compound and BioAssay. The Substance database contains chemical information deposited by individual data contributors to PubChem, and the Compound database stores unique chemical structures extracted from the Substance database.

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