diff options
Diffstat (limited to 'models/mutagenicity-mp2d/download/hansen_convert.rb')
-rwxr-xr-x | models/mutagenicity-mp2d/download/hansen_convert.rb | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/models/mutagenicity-mp2d/download/hansen_convert.rb b/models/mutagenicity-mp2d/download/hansen_convert.rb new file mode 100755 index 0000000..fa351ea --- /dev/null +++ b/models/mutagenicity-mp2d/download/hansen_convert.rb @@ -0,0 +1,12 @@ +#!/usr/bin/env ruby +require 'csv' + +# convert hansen dataset +hansen = CSV.read ARGV[0] +hansen.shift + +map = {"0" => "non-mutagenic","1" => "mutagenic"} +puts "ID,SMILES,Mutagenicity" +hansen.each do |row| + puts [row[0],row[5],map[row[2]]].join "," +end |