1 files changed, 14 insertions, 0 deletions
diff --git a/scripts/test-validation-results.rb b/scripts/test-validation-results.rb
new file mode 100755
index 0000000..2750019
--- /dev/null
+++ b/scripts/test-validation-results.rb
@@ -0,0 +1,14 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+validation = Validation::TrainTest.find File.read("data/training-test-predictions.id").chomp
+
+data = []
+puts ["SMILES","LOAEL_measured_median","LOAEL_predicted","Error","Dataset"].join(",")
+validation.predictions.each do |id,p|
+  data << [Compound.find(id).smiles, p["measurements"].median, p["value"], (p["measurements"].median-p["value"]).abs,"test-prediction"]
+end
+
+data.sort!{|a,b| a[1] <=> b[1]}
+puts data.collect{|r| r.join ","}.join("\n")