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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: Substructure search (SSS)

  • SSS search retrieves substances which match the query exactly
  • SSS search retrieves substances which match the query with substitution allowed at all positions
    • All query rings are isolated or embedded
    • Variable nodes are allowed in the query
    • Variable bonds are allowed in the query
    • Retrieves all substances having the same connection table
      • Unsubstituted substance
      • Substituted substance
      • Stereoisomers of the substance and substituted substance
      • Isotopically labelled substances
      • Radicals
      • Ions
      • Homopolymers
    • Retrieves multi-component substances that contain query as one of the components

Last modified: June 22, 2005

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