Click on items for more information
The different sections available in ChirBase
Under Browse Mode
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
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.
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