mordred.BCUT module¶
-
class
mordred.BCUT.
BCUT
(prop='m', nth=0)[source]¶ Bases:
mordred.BCUT.BCUTBase
BCUT descriptor.
- Parameters
prop (
str
orfunction
) – atomic propertiesnth (int) – n-th eigen value. 0 is highest, -1 is lowest.
- Returns
NaN when
any atomic properties are NaN
\(\left| nth \right| > A\)
-
since
= StrictVersion ('1.0')¶
-
rtype
¶ alias of
builtins.float
-
config
¶
-
explicit_hydrogens
= False¶
-
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
= ('prop', 'nth')¶
-
require_3D
= False¶
-
require_connected
= True¶