Intelligence API

One critical task of any compound registration system is to make sure molecular structures are compliant with chemistry conventions. This ensures consistent representations of molecular structures in the database so that structure searches can find, and only find, the right compounds. Although different organizations may have slightly different conventions, the following ones are some of the most common that the Chemistry Intelligence API takes care of. 

Add chiral flag If the compound has a single stereo center, a chiral flag should be present  

Invalid stereo bonds Replace invalid stereo bonds with flat bonds  

Developing Chemical Information Systems An Object-Oriented Approach Using Enterprise Java, by Fan Li Copyright 2007 John Wiley Sons, Inc. 

Remove chiral flag If a structure does not have a stereo center, the chiral flag should not be present  

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