diff options
Diffstat (limited to 'lib/crossvalidation.rb')
| -rw-r--r-- | lib/crossvalidation.rb | 16 |
1 files changed, 9 insertions, 7 deletions
diff --git a/lib/crossvalidation.rb b/lib/crossvalidation.rb index 0c5f0be..362842e 100644 --- a/lib/crossvalidation.rb +++ b/lib/crossvalidation.rb @@ -55,7 +55,7 @@ module OpenTox predictions: predictions.sort{|a,b| b[3] <=> a[3]} # sort according to confidence ) $logger.debug "Nr unpredicted: #{nr_unpredicted}" - cv.statistics + #cv.statistics cv end end @@ -179,12 +179,14 @@ module OpenTox predictions.each do |pred| compound_id,activity,prediction,confidence = pred if activity and prediction - error = Math.log10(prediction)-Math.log10(activity) - rmse += error**2 - weighted_rmse += confidence*error**2 - mae += error.abs - weighted_mae += confidence*error.abs - confidence_sum += confidence + activity.each do |act| + error = Math.log10(prediction)-Math.log10(act) + rmse += error**2 + weighted_rmse += confidence*error**2 + mae += error.abs + weighted_mae += confidence*error.abs + confidence_sum += confidence + 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}." |