
Click on items for more information
Introduction
The different sections available in ChirBase
Under Browse Mode
Viewing a table of sample structures
Viewing separations in a table
Viewing the full separation data
Structure Searching
Building a structure query to retrieve exactly a given class of compounds
Searching Examples
How to
Display all the database entries
Merge, intersect, or subtract lists in the database
Find all the separations that are part of the current displayed reference
if you retrieved no records or too few records (Substructure Search):
Check that your search domain is set to the entire database.
Change the structural constraints in your query. Add query features to allow a more general search of your class of compound
For example:
remove any neutral fragments which are not near the chiral centers
remove any explicit bonds or atoms that are not required
change bond types to increase bond variation
use the atom query features List and add the feature Q (any hetero atoms), or the feature A (any atoms) to increase atom variation
remove stereochemical requirements.
Try a 'multiple-fragment' query.
If you retrieved too many records:
Refine the structural constraints in your query, and then search the same list.
For example:
limit substitution at specific positions with explicit hydrogens
change bond types to force the retrieval of solely rings or solely chains
restrict atom or bond variation with explicit atoms or bonds
Save a list of the records retrieved, refine your query, and then search the saved list.
Save a list of the records retrieved, conduct an additional search for compounds that you want to exclude (and save them), and then subtract the two lists