Example #1
0
 def __init__(self):
     RDKit2D.__init__(self,
                      properties=[
                          'ExactMolWt', 'NumAliphaticRings',
                          'NumAromaticCarbocycles',
                          'NumAromaticHeterocycles', 'NumAromaticRings'
                      ])
Example #2
0
 def __init__(self):
     RDKit2D.__init__(self, properties=[
         'ExactMolWt',
     ])