On Wed, Oct 12, 2011 at 2:38 AM, <[email protected]> wrote: > >> > (2) Picking Diverse Molecules >> >> Also, just a general FYI here: As of last week the RDKit community >> nodes for knime also support doing diversity picking based on >> fingerprint similarity. > > That's wonderful! On the way back from the KOS days, I exactly thought > about such a node - but I simply didn't have the chance to post it on the > forum :)
Glad you like the idea. :-) The node is definitely a product of the KOS day: I spent some time thinking about bits of useful RDKit functionality that were not yet available in knime and that was the first thing I came up with. -greg ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
