# Do a 10-fold crossvalidation # # Author: Andreas Maunz, David Vorgrimmler # # @params: Dataset_name(see dataset_nestle.yaml), pc_type(electronic,cpsa or constitutional ... or nil to disable), prediction_algorithm(local_mlr_prop or local_svm_regression ...) if ARGV.size != 4 puts "Args: ds_name, pc_type, algo, random_seed" puts ARGV.size exit end ds_file = "datasets.yaml" pwd=`pwd` path = "#{pwd.chop}/../data/#{ds_file}" if File.exists?(path) puts "#{ds_file} exists" else puts "#{ds_file} does not exist." exit end require 'rubygems' require 'opentox-ruby' require 'yaml' subjectid = nil ds_name = ARGV[0] # e.g. MOU pc_type = ARGV[1] # e.g. electronic,cpsa or nil to disable algo = ARGV[2] # e.g. local_svm_regression, local_mlr_prop r_seed = ARGV[3] # 1, 2, ..., 10 ds = YAML::load_file("../data/datasets.yaml") ds_uri = ds[ds_name]["dataset"] pc_ds_uri = ds[ds_name][pc_type] algo_params = "prediction_algorithm=#{algo}" algo_params += ";pc_type=#{pc_type}" unless pc_type == "nil" algo_params += ";feature_dataset_uri=#{pc_ds_uri}" unless pc_type == "nil" puts algo_params.to_yaml prediction_feature = OpenTox::Dataset.find(ds_uri).features.keys.first # Ready cv_args = {} cv_args[:dataset_uri] = ds_uri cv_args[:prediction_feature] = prediction_feature cv_args[:algorithm_uri] = "http://toxcreate3.in-silico.ch:80XX/algorithm/lazar" cv_args[:algorithm_params] = algo_params cv_args[:stratified] = false cv_args[:random_seed] = r_seed puts cv_args.to_yaml #cv = OpenTox::Crossvalidation.create(cv_args).uri #puts cv #cvr = OpenTox::CrossvalidationReport.create( cv , subjectid).uri #puts cvr