diff options
Diffstat (limited to 'lib/unique_descriptors.rb')
| -rw-r--r-- | lib/unique_descriptors.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/lib/unique_descriptors.rb b/lib/unique_descriptors.rb index 03a9b08..8341a67 100644 --- a/lib/unique_descriptors.rb +++ b/lib/unique_descriptors.rb @@ -24,7 +24,7 @@ UNIQUEDESCRIPTORS = [ "Cdk.ALOGP", #Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen and "Cdk.APol", #Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens). "Cdk.AcidicGroupCount", #Returns the number of acidic groups. - "Cdk.AminoAcidCount", #Returns the number of amino acids found in the system + #"Cdk.AminoAcidCount", #Returns the number of amino acids found in the system #"Cdk.AromaticAtomsCount", #Descriptor based on the number of aromatic atoms of a molecule. #"Cdk.AromaticBondsCount", #Descriptor based on the number of aromatic bonds of a molecule. #"Cdk.AtomCount", #Descriptor based on the number of atoms of a certain element type. |