1 files changed, 24 insertions, 0 deletions
diff --git a/scripts/predict.rb b/scripts/predict.rb
new file mode 100755
index 0000000..9161f45
--- /dev/null
+++ b/scripts/predict.rb
@@ -0,0 +1,24 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+train = Dataset.from_csv_file ARGV[0]
+
+model = Model::LazarClassification.create(training_dataset: train)
+
+n = 0
+results = {}
+File.open(ARGV[1]).each_line do |l|
+  unless n == 0
+    id,smi = l.chomp.split ","
+    c = Compound.from_smiles smi
+    result = model.predict c
+    results[id] = result
+  end
+  n += 1
+end
+
+puts results.to_json
+  #puts result.inspect
+  #rcv = Validation::RepeatedCrossValidation.create(model)
+#puts "#{rcv.id}"