Abdulelah-Gani Primary Model
AbdulelahGani Primary Structures FragmentationModel implementation.
Import and use the AbdulelahGani Primary Structures FragmentationModel with:
from ugropy import abdulelah_gani_p
# Get groups from molecule's name
tol = abdulelah_gani_p.get_groups("toluene")
print(tol.subgroups)
# Get groups from molecule's SMILES
eth = abdulelah_gani_p.get_groups("CCO", "smiles")
print(eth.subgroups)