There are four structure search options in STNext: exact, family, closed substructure, and substructure.
Structure Search Type |
Retrieval |
Use Variables? |
EXA (exact) |
Stereoisomers, charged, and isotopically labeled structures |
No |
FAM (family) |
Stereoisomers,
charged, and isotopically labeled structures |
No |
CSS (closed substructure search) |
Stereoisomers,
charged, and isotopically labeled structures, salts, mixtures |
Yes |
SSS (substructure search) |
Stereoisomers,
charged, and isotopically labeled structures, salts, mixtures,
substances with no substitutions at open nodes unless the query
is specified for substitution
Use SSS search to find substances that match the query with any and all substitution allowed. You may block substitution with, for example, hydrogen counts, non-hydrogen attachments, and shortcut symbols. Additional components may also be retrieved. This is the broadest and most powerful of all the search types. It retrieves all substances in the database containing at least the atoms and bonds described in the structure query; but, the query may be embedded in any larger substance. The SSS search retrieves all the EXACT, FAMILY, and CSS answers, as well as any substances that have substitution. The SSS search is the default search type. |
Yes |
Back to Using Structures for Queries