diff options
Diffstat (limited to 'scripts/pa-table.rb')
| -rwxr-xr-x | scripts/pa-table.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/scripts/pa-table.rb b/scripts/pa-table.rb index 4e5d438..ba7af63 100755 --- a/scripts/pa-table.rb +++ b/scripts/pa-table.rb @@ -1,6 +1,6 @@ #!/usr/bin/env ruby -header = ["ID","CID","SMILES","Canonical SMILES","Measured","lazar-MP2D","lazar-MP2D-high-confidence","lazar-PaDEL","lazar-PaDEL-high-confidence"] +header = ["ID","CID","SMILES","Canonical SMILES","Measured","lazar-MP2D","lazar-MP2D-high-confidence","lazar-CDK","lazar-CDK-high-confidence"] tab = [] i = 0 File.read("pyrrolizidine-alkaloids/180920_PA_complete_SMILES.csv").each_line do |l| |