Igor, On Tue, May 3, 2011 at 6:03 PM, Igor Filippov <[email protected]> wrote: > Questions: > > 1) How can I use real-valued descriptors, such as MOE-like descriptors > for such modeling? Do I need to pick descriptors one-by-one or is there > something like "AllDescriptors" which computes all of them in one pass?
An initial version of this is now here: http://code.google.com/p/rdkit/wiki/BuildingModelsUsingDescriptors1 -greg ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
