Hi Igor, On Tuesday, May 3, 2011, Igor Filippov <igor.v.filip...@gmail.com> wrote: > Greg, > > This is great! Sorry for making you work.
No worries, it needed to be done at some point. > The new help page is very informative. > I am sure this will prove useful not just to me. Hopefully! ;-) > > 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? I'm putting together an example for continuous descriptors analogous to the fingerprint one. I just didn't have time to finish this mornIng. I will try to get it done in the next day or so. > > 2) Can you briefly say what each of the parameters to Grow() is? > Some are mentioned in the text but I would like to make sure I know what > everything is. There are a ton of parameters, but I will try come up with a sensible subset. -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 Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
