1 files changed, 15 insertions, 0 deletions
diff --git a/scripts/misclassification-predictions.rb b/scripts/misclassification-predictions.rb
new file mode 100755
index 0000000..8d8c837
--- /dev/null
+++ b/scripts/misclassification-predictions.rb
@@ -0,0 +1,15 @@
+require_relative "include.rb"
+dataset = Dataset.from_csv_file "data/training.csv"
+compounds = CSV.read("data/misclassifications.csv")[1..2].collect{|m| Compound.from_smiles(m[0])}
+model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression")
+#predictions = compounds.collect{|c| model.predict c}
+#predictions.each do |p|
+#end
+#p compounds[1].smiles
+p compounds[1].names
+prediction = model.predict compounds[1]
+#prediction[:neighbors] = prediction[:neighbors].collect{|n| n.delete(:dataset_ids)}
+prediction[:neighbors].each{|n| n.delete(:dataset_ids)}
+#prediction[:neighbors] = prediction[:neighbors].collect{|n| n[:tanimoto]}
+prediction[:neighbors] = prediction[:neighbors].collect{|n| Compound.find(n["_id"]).smiles}
+puts JSON.pretty_generate(prediction)