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-rw-r--r--test/validation-nanoparticle.rb41
1 files changed, 41 insertions, 0 deletions
diff --git a/test/validation-nanoparticle.rb b/test/validation-nanoparticle.rb
index 1742ef2..7391f21 100644
--- a/test/validation-nanoparticle.rb
+++ b/test/validation-nanoparticle.rb
@@ -72,4 +72,45 @@ class NanoparticleValidationTest < MiniTest::Test
refute_nil cv.rmse
end
+ def test_nanoparticle_fingerprint_model
+ algorithms = {
+ :descriptors => {
+ :method => "fingerprint",
+ :type => "MP2D",
+ },
+ :similarity => {
+ :method => "Algorithm::Similarity.tanimoto",
+ :min => 0.1
+ },
+ :feature_selection => nil
+ }
+ model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
+ cv = CrossValidation.create model
+ p cv.rmse
+ p cv.r_squared
+ refute_nil cv.r_squared
+ refute_nil cv.rmse
+ end
+
+ def test_nanoparticle_fingerprint_weighted_average_model
+ algorithms = {
+ :descriptors => {
+ :method => "fingerprint",
+ :type => "MP2D",
+ },
+ :similarity => {
+ :method => "Algorithm::Similarity.tanimoto",
+ :min => 0.1
+ },
+ :prediction => { :method => "OpenTox::Algorithm::Regression.weighted_average" },
+ :feature_selection => nil
+ }
+ model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
+ cv = CrossValidation.create model
+ p cv.rmse
+ p cv.r_squared
+ refute_nil cv.r_squared
+ refute_nil cv.rmse
+ end
+
end