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#!/usr/bin/env ruby
require_relative '../../lazar/lib/lazar'
include OpenTox
train = Dataset.from_csv_file ARGV[0]
model = Model::LazarClassification.create(training_dataset: train)
n = 0
results = {}
File.open(ARGV[1]).each_line do |l|
unless n == 0
id,smi = l.chomp.split ","
c = Compound.from_smiles smi
result = model.predict c
results[id] = result
end
n += 1
end
puts results.to_json
#puts result.inspect
#rcv = Validation::RepeatedCrossValidation.create(model)
#puts "#{rcv.id}"
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