Hi Paul, I haven't tested it with the scikit-learn libraries yet, but from my experience the fraction of trees predicting a specific class is a good indicator for how much you can trust the predictions. in scikit-learn this should be available via the predict_proba(X) function as described here:
http://scikit-learn.org/dev/modules/generated/sklearn.ensemble.RandomForestClassifier.html Cheers, Christian Am 19.03.2013 um 14:23 schrieb [email protected]: > Dear RDKitters, > > anyone worked with RDKit (data processing & descriptor calculation) & > scikit-learn (train Random Forests) and could share some experiences with > setting up a domain of application? > > Cheers & Thanks so far, > Paul > > > This message and any attachment are confidential and may be privileged or > otherwise protected from disclosure. If you are not the intended recipient, > you must not copy this message or attachment or disclose the contents to any > other person. If you have received this transmission in error, please notify > the sender immediately and delete the message and any attachment from your > system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not > accept liability for any omissions or errors in this message which may arise > as a result of E-Mail-transmission or for damages resulting from any > unauthorized changes of the content of this message and any attachment > thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not > guarantee that this message is free of viruses and does not accept liability > for any damages caused by any virus transmitted therewith. > > Click http://www.merckgroup.com/disclaimer to access the German, French, > Spanish and Portuguese versions of this disclaimer. > > ------------------------------------------------------------------------------ > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_d2d_mar > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
