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require_relative '../../lazar/lib/lazar'
include OpenTox
old = Dataset.from_csv_file File.join(File.dirname(__FILE__),"..","regression","LOAEL_mg_corrected_smiles_mmol.csv")
new = Dataset.from_csv_file File.join(File.dirname(__FILE__),"..","regression","swissRat_chron_LOAEL_mmol.csv")
File.open("rmse.R","w+") do |result|
names = {old => "mazzatorta",new => "swiss"}
[old,new].each do |dataset|
rmse = 0
nr = 0
dataset.compound_ids.each do |cid|
c = Compound.find cid
values = dataset.values(c,dataset.features.first)
if values.size > 1
median = -Math.log(values.mean)
values.each do |v|
rmse += (-Math.log(v) - median)**2
nr += 1
end
end
end
rmse = Math.sqrt(rmse/nr)
result.puts "#{names[dataset]}.rmse <- #{rmse}"
end
rmse = 0
nr = 0
(old.compound_ids & new.compound_ids).each do |cid|
c = Compound.find cid
values = old.values(c,old.features.first) + new.values(c,new.features.first)
if values.size > 1
median = -Math.log(values.mean)
values.each do |v|
rmse += (-Math.log(v) - median)**2
nr += 1
end
end
end
rmse = Math.sqrt(rmse/nr)
result.puts "common.rmse <- #{rmse}"
rmse = 0
nr = 0
(old.compound_ids + new.compound_ids).uniq.each do |cid|
c = Compound.find cid
values = old.values(c,old.features.first) + new.values(c,new.features.first)
if values.size > 1
median = -Math.log(values.mean)
values.each do |v|
rmse += (-Math.log(v) - median)**2
nr += 1
end
end
end
rmse = Math.sqrt(rmse/nr)
result.puts "combined.rmse <- #{rmse}"
end
#combined_rmse = Math.sqrt(combined_rmse/combined_nr)
#p "combined: #{combined_rmse}"
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