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authorChristoph Helma <helma@in-silico.ch>2016-11-10 15:27:26 +0100
committerChristoph Helma <helma@in-silico.ch>2016-11-10 15:27:26 +0100
commit9a06f2ff5ae6bdbe7dc90555599e186f1585e0d2 (patch)
treec9cbb63f398c2937f3cba78a9976c7356a3f79a4 /test/validation-nanoparticle.rb
parent85ef2c4982f72c811d5e9fa4ce22e238c512fe6e (diff)
Model::NanoPrediction parameters
Diffstat (limited to 'test/validation-nanoparticle.rb')
-rw-r--r--test/validation-nanoparticle.rb19
1 files changed, 19 insertions, 0 deletions
diff --git a/test/validation-nanoparticle.rb b/test/validation-nanoparticle.rb
index 7391f21..5ed70f2 100644
--- a/test/validation-nanoparticle.rb
+++ b/test/validation-nanoparticle.rb
@@ -113,4 +113,23 @@ class NanoparticleValidationTest < MiniTest::Test
refute_nil cv.rmse
end
+ def test_nanoparticle_fingerprint_model_with_feature_selection
+ algorithms = {
+ :descriptors => {
+ :method => "fingerprint",
+ :type => "MP2D",
+ },
+ :similarity => {
+ :method => "Algorithm::Similarity.tanimoto",
+ :min => 0.1
+ },
+ }
+ 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