Hi,

I've created a fastsearch index using the FP2, FP3, FP4 & MACCS
fingerprints. When I do a substructure search without fingerprints (in
a 10K file), I get 647 hits. With FP2 I also get these hits. However
with the other fingerprints I get more hits. These hits include
molecules that do not have my query as substructure. It seems like no
substructure search is done for the other fingerprints. This is using
svn. Any ideas?

Tim

------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and 
threat landscape has changed and how IT managers can respond. Discussions 
will include endpoint security, mobile security and the latest in malware 
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel

Reply via email to