diff options
author | Christoph Helma <helma@in-silico.ch> | 2017-02-14 15:02:17 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2017-02-14 15:02:17 +0100 |
commit | bb8797e0047f02768033cf6839dc926d30c016d2 (patch) | |
tree | 740c4765fe887315bb8b29c31a767afd227facc0 /scripts | |
parent | 127380ef9189b58b1541b2a35989900003c26510 (diff) |
rf models, sim 0.5, no weighted average
Diffstat (limited to 'scripts')
-rwxr-xr-x | scripts/crossvalidation.rb | 6 | ||||
-rwxr-xr-x | scripts/test-validation.rb | 2 |
2 files changed, 2 insertions, 6 deletions
diff --git a/scripts/crossvalidation.rb b/scripts/crossvalidation.rb index 32b9950..e02c5ca 100755 --- a/scripts/crossvalidation.rb +++ b/scripts/crossvalidation.rb @@ -5,13 +5,11 @@ require 'yaml' name = File.basename ARGV[0], ".csv" file = File.join "data",ARGV[0] dataset = Dataset.from_csv_file file -#model = Model::LazarRegression.create(training_dataset: dataset)#, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression") -model = Model::LazarRegression.create(training_dataset: dataset, algorithms: { :similarity => { :min => 0.5 }}) +model = Model::LazarRegression.create(training_dataset: dataset, algorithms: { :prediction => {:method => "Algorithm::Caret.rf"}, :similarity => { :min => 0.5 }}) csv_file = File.join("data",ARGV[0].sub(/.csv/,"-cv-#{ARGV[1]}.csv")) id_file = File.join("data",ARGV[0].sub(/.csv/,"-cv-#{ARGV[1]}.id")) cv = Validation::RegressionCrossValidation.create model File.open(id_file,"w+"){|f| f.puts cv.id} -#cv = Validation::RegressionCrossValidation.first p cv.id data = [] cv.predictions.each do |cid,p| @@ -29,5 +27,3 @@ CSV.open(csv_file,"w+") do |csv| csv << ["SMILES","LOAEL_measured_median","LOAEL_predicted","Prediction_interval_low","Prediction_interval_high"] data.each{|r| csv << r} end -=begin -=end diff --git a/scripts/test-validation.rb b/scripts/test-validation.rb index b64edd6..0b8c0a7 100755 --- a/scripts/test-validation.rb +++ b/scripts/test-validation.rb @@ -5,6 +5,6 @@ include OpenTox test = Dataset.from_csv_file(File.join("data","test_log10.csv")) train = Dataset.from_csv_file(File.join("data","training_log10.csv")) -model = Model::LazarRegression.create(training_dataset: train, algorithms: { :similarity => { :min => 0.5 }}) +model = Model::LazarRegression.create(training_dataset: train, algorithms: { :prediction => {:method => "Algorithm::Caret.rf"}, :similarity => { :min => 0.5 }}) validation = Validation::TrainTest.create model, train, test File.open(File.join("data","training-test-predictions.id"),"w+") { |f| f.puts validation.id } |