I created a database using CambridgeSoft ChemFinder (version 12) and the
pubchem.200.sdf data file. Using the smiles query 'O=CNC' ChemFinder
returns 125 hits and DbCLI returns 73 hits. This doesn't seem like a
difficult query, any idea's why DbCLI is missing so many structures?
Thanks
Bob
------------------------------------------------------------------------------
This SF.net email is sponsored by Sprint
What will you do first with EVO, the first 4G phone?
Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
