[Cdk-user] SMARTS search with fingerprints

[<nl...@us...>]

Hi,

are the fingerprints also intended to work with QueryAtomContainers 
created from SMARTS?
The comment about handling of pseudo atoms suggests they can not be 
used to speed up SMARTS substructure search. Is there an other way to 
filter out some non-matching molecules easily before matching?


Thanks

Nils