mordred.BCUT module

class mordred.BCUT.BCUT(prop='m', nth=0)[source]

Bases: mordred.BCUT.BCUTBase

BCUT descriptor.

Parameters
Returns

NaN when

  • any atomic properties are NaN

  • \(\left| nth \right| > A\)

since = StrictVersion ('1.0')
description()[source]
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

Descriptor

get_3D_mol()
get_parameter_dict()
kekulize = False
parameter_names = ('prop', 'nth')
require_3D = False
require_connected = True
to_json()

Convert to json serializable dictionary.

Returns

dictionary of descriptor

Return type

dict