ChirBase for ACD/Labs can be searched by structure, substructure, and method parameters with the ACD/ChromManager
ChirBase Strategy for chiral method development
CHIRBASE is a molecular oriented factual database. The concept utilised in this database approach is related to the importance of molecular interactions in chiral recognition mechanisms:
For a solute to bind to a Chiral Stationary Phase (CSP), it must have functional groups complementary to specific binding regions on the receptor. It follows that any application in this field of chiral discrimination shall be molecularly oriented.
Chemical information system permits the recognition of the molecular key fingerprints given by the new compound amongst thousands of fingerprints of known compounds available in ChirBase database.
Substructure search strategies
Chemical substructure searching (SSS) is the ability to search astructure database using any structure fragment. The results of a SSS are the chemical structures in the database which contain the query structure fragment.
Similarity search strategies
Molecular similarity searching gives the possibility to find quickly unrelated but functionally analogous molecules