[OTDev] new validation report features: confidence plots and algorithm comparison
Martin Guetlein martin.guetlein at googlemail.comThu May 19 08:47:29 CEST 2011
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Hi all, there are new features to the validation reports. First, a confidence plot (could be named "applicability domain curve" as well) shows how the prediction confidence effects accuracy/rmse. See (classification): http://toxcreate2.in-silico.ch/validation/report/crossvalidation/44 and (regresssion): http://toxcreate2.in-silico.ch/validation/report/crossvalidation/53 Second, there is a report to compare different algorithms/parameter settings that were used on the same dataset (including significance tests). See (classification): http://toxcreate2.in-silico.ch/validation/report/algorithm_comparison/48 and (regresssion): http://toxcreate2.in-silico.ch/validation/report/algorithm_comparison/55 The latter can be used to compare the efforts of different groups on the REACH endpoint prediction. Please note that the results (especially regression) are far from good, this is just a proof of concept (I have to re-check the r² value computation as well). How do you like it? Any comments, feature requests? Regards, Martin P.S. The current validation development version is running at http://toxcreate2.in-silico.ch/validation, http:// opentox.informatik.uni-freiburg.de/validation will be updated soon. -- Dipl-Inf. Martin Gütlein Phone: +49 (0)761 203 8442 (office) +49 (0)177 623 9499 (mobile) Email: guetlein at informatik.uni-freiburg.de
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