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