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#!/usr/bin/env ruby
require_relative '../../lazar/lib/lazar'
include OpenTox
old = Dataset.from_csv_file File.join("data","mazzatorta_log10.csv")
new = Dataset.from_csv_file File.join("data","swiss_log10.csv")
common_compounds = (old.compounds + new.compounds).uniq
data = []
common_compounds.each do |c|
old_values = old.values(c,old.features.first)
new_values = new.values(c,new.features.first)
identical = old_values & new_values
unless identical.empty?
old_values -= identical
new_values -= identical
end
identical.each do |v|
data << [c.smiles,v,"mazzatorta and swiss"] if v
end
old_values.each do |v|
data << [c.smiles,v,"mazzatorta"] if v
end
new_values.each do |v|
data << [c.smiles,v,"swiss"] if v
end
end
data.sort!{|a,b| a[1] <=> b[1]}
File.open(File.join("data","training_log10.csv"),"w+") do |f|
f.puts ["SMILES","LOAEL","Dataset"].join ","
f.puts data.collect{|r| r.join ","}.join "\n"
end
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