mordred.TopoPSA module¶
-
class
mordred.TopoPSA.
TopoPSA
(no_only=True)[source]¶ Bases:
mordred._base.descriptor.Descriptor
topological polar surface area descriptor(NO only: rdkit wrapper).
- Parameters
no_only (bool) –
True: N,O only TPSA
False: all(N,O,S,P) TPSA
- References
-
since
= StrictVersion ('1.0')¶
-
rtype
¶ alias of
builtins.float
-
config
¶
-
explicit_hydrogens
= True¶
-
classmethod
from_json
(obj)¶ Create Descriptor instance from json dict.
- Parameters
obj (dict) – descriptor dict
- Returns
descriptor
- Return type
-
get_3D_mol
()¶
-
get_parameter_dict
()¶
-
kekulize
= False¶
-
parameter_names
= ('no_only',)¶
-
require_3D
= False¶
-
require_connected
= False¶