1 files changed, 0 insertions, 25 deletions
diff --git a/scripts/carcinogenicity2csv.rb b/scripts/carcinogenicity2csv.rb
deleted file mode 100755
index bed0907..0000000
--- a/scripts/carcinogenicity2csv.rb
+++ /dev/null
@@ -1,25 +0,0 @@
-#!/usr/bin/env ruby
-#require_relative '../../lazar/lib/lazar.rb'
-
-i = 0
-activities = []
-File.readlines(ARGV[0]).each do |line|
-  if i > 2
-    tokens = line.split ","
-    p line if tokens[1].empty?
-    activities << [tokens[1],tokens[3]]
-  end
-  i += 1
-end
-
-puts "SMILES,Activity"
-activities.each_slice(100) do |slice| # get SMILES in chunks
-  sids = slice.collect{|e| e[0]}
-  smiles = `curl https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/#{sids.join(",")}/property/CanonicalSMILES/TXT`.split("\n")
-  abort("Could not get SMILES for all SIDs from PubChem") unless sids.size == smiles.size
-  smiles.each_with_index do |smi,i|
-    act = slice[i]
-    puts [smi.chomp,act[1]].join(",")
-  end
-end
-