Information AboutPubchem |
| CATEGORIES ABOUT PUBCHEM | |
| chemical databases | |
| national institutes of health | |
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DATABASES PubChem consists of three primary databases:
SEARCHING Searching the databases is possible for a broad range of properties including chemical structure, name fragments, Chemical Formula , Molecular Weight , XLogP , and Hydrogen Bond donor and acceptor count. PubChem contains an own online Molecule Editor with SMILES /SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments. Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and InChI strings, bioactivity, and links to structurally related compounds and other NCBI databases like PubMed . In the text search form the database fields can be searched by adding the field name in square brackets to the search term. A numeric range is represented by two numbers separated by a colon. The search terms and field names are case-insensitive. Parentheses and the Logical Operator s AND, OR, and NOT can be used. AND is assumed if no operator is used. Example ( Lipinski's Rule Of Five ): 0:500 0:5[hbdc 0:10 -5:5[logp DATABASE FIELDS SEE ALSO
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