prediction interval for regression

2 files changed, 3 insertions, 1 deletions

diff --git a/lib/model.rb b/lib/model.rb
index 5da5dc8..8e657b8 100644
--- a/lib/model.rb
+++ b/lib/model.rb
@@ -63,10 +63,11 @@ module OpenTox
         end
         neighbors.delete_if{|n| n['features'].empty? or n['features'][prediction_feature.id.to_s] == [nil] }
         if neighbors.empty?
-          prediction.merge!({:value => nil,:confidence => nil,:warning => "Could not find similar compounds with experimental data in the training dataset."})
+          prediction.merge!({:value => nil,:confidence => nil,:warning => "Could not find similar compounds with experimental data in the training dataset.",:neighbors => []})
         else
           prediction.merge!(Algorithm.run(prediction_algorithm, compound, {:neighbors => neighbors,:training_dataset_id=> training_dataset_id,:prediction_feature_id => prediction_feature.id}))
           prediction[:neighbors] = neighbors
+          prediction[:neighbors] ||= []
         end
         prediction
       end
diff --git a/lib/regression.rb b/lib/regression.rb
index af72d7d..5021fb3 100644
--- a/lib/regression.rb
+++ b/lib/regression.rb
@@ -66,6 +66,7 @@ module OpenTox
             prediction[:warning] = "Could not create local PLS model. Using weighted average of similar compounds."
             return prediction
           else
+            prediction[:prediction_interval] = [10**(prediction[:value]-1.96*prediction[:rmse]), 10**(prediction[:value]+1.96*prediction[:rmse])]
             prediction[:value] = 10**prediction[:value]
             prediction[:rmse] = 10**prediction[:rmse]
             prediction