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#!/usr/bin/env ruby
require_relative '../lib/lazar.rb'
include OpenTox
newfile = ARGV[0].sub(/.csv/,"_mmol_log10.csv")
p newfile
CSV.open(newfile, "wb") do |csv|
CSV.read(ARGV[0]).each do |line|
smi,mol = line
if mol.numeric?
c = Compound.from_smiles smi
#delog = 10**(-1*mol.to_f) #if values already -log10 but mol
mmol = mol.to_f*1000
log = -Math.log10(mmol)
csv << [smi, log]
else
csv << [smi, mol.gsub(/mol/,'mmol')]
end
end
end
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