1 files changed, 22 insertions, 0 deletions
diff --git a/paper/test-set-validation.rb b/paper/test-set-validation.rb
new file mode 100644
index 0000000..d842d47
--- /dev/null
+++ b/paper/test-set-validation.rb
@@ -0,0 +1,22 @@
+require_relative "include.rb"
+
+test = Dataset.from_csv_file(File.join(DATA,"common-test.csv"))
+
+file = File.join(DATA,ARGV[0])
+dataset = Dataset.from_csv_file file
+model = Model::LazarRegression.create dataset
+validation = Validation.create model, dataset, test
+csv_file = file.sub(".csv","-test-predictions.csv")
+name = File.basename(ARGV[0],".csv")
+
+data = []
+validation.predictions.each do |p|
+  data << [Compound.find(p[0]).smiles, p[2], p[3],"#{name}-prediction"]
+end
+
+data.sort!{|a,b| a[1] <=> b[1]}
+
+CSV.open(csv_file,"w+") do |csv|
+  csv << ["SMILES","LOAEL","Confidence","Dataset"]
+  data.each{|r| csv << r}
+end