On Dec 11, 2011, at 6:36 AM, Greg Landrum wrote:
> The "pubchem pieces" queries are in svn:
> http://rdkit.svn.sourceforge.net/viewvc/rdkit/trunk/Regress/Data/queries.txt.gz?revision=1137
> I'm sure I can dig out the script I used to produce that set if you
> want to make more.
Got it, thanks.
No, no need for more right now.
> Assuming I implemented your FPs correctly (code attached), this is what I get:
Hee-hee! So if I read your numbers correctly ("dalkefp.py" looks right), then
my proposed fingerprints are really, really bad.
I'm going to have fun today figuring out what's wrong with my logic, and
comparing it with your new fingerprints! :)
Andrew
da...@dalkescientific.com
------------------------------------------------------------------------------
Learn Windows Azure Live! Tuesday, Dec 13, 2011
Microsoft is holding a special Learn Windows Azure training event for
developers. It will provide a great way to learn Windows Azure and what it
provides. You can attend the event by watching it streamed LIVE online.
Learn more at http://p.sf.net/sfu/ms-windowsazure
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
