require_relative "setup.rb" class PredictionModelTest < MiniTest::Test def test_prediction_model pm = Model::Prediction.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" [:endpoint,:species,:source].each do |p| refute_empty pm[p] end assert pm.classification? refute pm.regression? pm.crossvalidations.each do |cv| assert cv.accuracy > 0.74, "Crossvalidation accuracy (#{cv.accuracy}) should be larger than 0.75. This may happen due to an unfavorable training/test set split." end prediction = pm.predict Compound.from_smiles("CCCC(NN)C") assert_equal "true", prediction[:value] pm.delete end end