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Structure Searching with STN Express
Structure searching in CAS Online using STN Express: An introductory workshop
Types of structure searches: Family search
- Family search retrieves substances which match the query exactly and any
multi-component substances that contain the exact query as one of the components
- All positions in query are blocked for further substitution
- All query rings are isolated
- No variable nodes are allowed in the query
- Variable bond values 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
- Family search may be used to find polymers of a specific monomer
- Family search will add hydrogens to all vacant atoms on the substructure
drawn
- Family search will not permit any other non-hydrogen atoms to be present
in the component corresponding to the substructure drawn. Any atoms may be present in
other component(s).