Dear Colleagues, I am following the tutorials at http://code.google.com/p/rdkit/wiki/BuildingModelsUsingDescriptors1 and http://code.google.com/p/rdkit/wiki/BuildingModelsUsingFingerprints1 to use RDKit to build a random forest model with floating point type descriptors. Perhaps someone can advise me on the following two points:
1) There doesn't seem to be a real-valued analogue to SigTreeBuilder, e.g. QuantTreeBuilder, what we have to use is QuantTreeBoot? 2) The parameter needsQuantization is set to False in both cases - binary fingerprint or real-valued descriptor, naively I thought it should be True in the latter case? 3) What precisely is the print out coming out of ScreenComposite.ShowVoteResults? I'm guessing it's the confusion matrix with something extra thrown in but I cannot find explanation of all the different numbers there... Thanks in advance, Igor ------------------------------------------------------------------------------ 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/ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
