diff options
Diffstat (limited to 'lib/validation-statistics.rb')
| -rw-r--r-- | lib/validation-statistics.rb | 6 |
1 files changed, 5 insertions, 1 deletions
diff --git a/lib/validation-statistics.rb b/lib/validation-statistics.rb index e42d298..6b252b1 100644 --- a/lib/validation-statistics.rb +++ b/lib/validation-statistics.rb @@ -100,6 +100,8 @@ module OpenTox # TODO: predictions within prediction_interval self.rmse = 0 self.mae = 0 + #self.within_prediction_interval = 0 + #self.outside_prediction_interval = 0 x = [] y = [] predictions.each do |cid,pred| @@ -109,6 +111,9 @@ module OpenTox error = pred[:value]-pred[:measurements].median self.rmse += error**2 self.mae += error.abs + #if pred[:prediction_interval] + #if pred[:measurements] + #end else warnings << "No training activities for #{Compound.find(compound_id).smiles} in training dataset #{model.training_dataset_id}." $logger.debug "No training activities for #{Compound.find(compound_id).smiles} in training dataset #{model.training_dataset_id}." @@ -118,7 +123,6 @@ module OpenTox R.assign "prediction", y R.eval "r <- cor(measurement,prediction,use='pairwise')" self.r_squared = R.eval("r").to_ruby**2 - self.mae = self.mae/predictions.size self.rmse = Math.sqrt(self.rmse/predictions.size) $logger.debug "R^2 #{r_squared}" |