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Databases for Chemists and Chemical Engineers

Chemical Abstracts

SciFinder Scholar | CAS Online | Standard Abbreviations | Index Guide | Guide to CASREACT | Structure Searching with STN Express

Structure searching in CAS Online using STN Express: An introductory workshop

Types of structure searches: Closed substructure search (CSS)

  • CSS search retrieves substances which match the query exactly
    • All positions in query are blocked for further substitution
    • All query rings are isolated
    • Variable nodes are allowed in the query
    • Retrieves all substances having the same connection table
      • Unsubstituted substance
      • Stereoisomers
      • Isotopically labelled substances
      • Radicals
      • Ions
      • Homopolymers
    • Retrieves multi-component substances that have the query as one of the components
  • Any position may be opened to substitution by specifying the connectivities for the node

Last modified: June 22, 2005

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