diff options
Diffstat (limited to 'lib/unique_descriptors.rb')
| -rw-r--r-- | lib/unique_descriptors.rb | 9 |
1 files changed, 4 insertions, 5 deletions
diff --git a/lib/unique_descriptors.rb b/lib/unique_descriptors.rb index cf9cbf3..03a9b08 100644 --- a/lib/unique_descriptors.rb +++ b/lib/unique_descriptors.rb @@ -12,7 +12,7 @@ UNIQUEDESCRIPTORS = [ "Openbabel.HBA1", #Number of Hydrogen Bond Acceptors 1 (JoelLib) "Openbabel.HBA2", #Number of Hydrogen Bond Acceptors 2 (JoelLib) "Openbabel.HBD", #Number of Hydrogen Bond Donors (JoelLib) - #"Openbabel.L5", #Lipinski Rule of Five# TODO Openbabel.L5 returns nil, investigate!!! + #"Openbabe..L5", #Lipinski Rule of Five# TODO Openbabel.L5 returns nil, investigate!!! "Openbabel.logP", #octanol/water partition coefficient "Openbabel.MP", #Melting point "Openbabel.MR", #molar refractivity @@ -75,7 +75,7 @@ UNIQUEDESCRIPTORS = [ "Joelib.count.NumberOfP", #no description available "Joelib.count.NumberOfO", #no description available "Joelib.count.NumberOfN", #no description available - #"Joelib.count.AromaticBonds", #no description available + #"Joeli#.count.AromaticBonds", #no description available "Joelib.count.NumberOfI", #no description available "Joelib.count.NumberOfF", #no description available "Joelib.count.NumberOfC", #no description available @@ -91,7 +91,7 @@ UNIQUEDESCRIPTORS = [ "Joelib.GeometricalShapeCoefficient", #no description available #"Joelib.MolecularWeight", #no description available "Joelib.FractionRotatableBonds", #no description available - #"Joelib.count.HBD2", #no description available + #"Joeli..count.HBD2", #no description available #"Joelib.count.HBD1", #no description available "Joelib.LogP", #no description available "Joelib.GraphShapeCoefficient", #no description available @@ -116,5 +116,4 @@ UNIQUEDESCRIPTORS = [ "Joelib.count.SOGroups", #no description available "Joelib.TopologicalDiameter", #no description available "Joelib.count.NumberOfHal", #no description available - -].sort +] |