mordred.Framework module¶

class mordred.Framework.Framework[source]¶

Bases: mordred._base.descriptor.Descriptor

molecular framework ratio descriptor.

\[f_{\rm MF} = \frac{N_{\rm MF}}{N}\]

where \(N_{\rm MF}\) is number of atoms in molecular framework, \(N\) is number of all atoms.

References

doi:10.1021/jm9602928

since = StrictVersion ('1.0')¶

description()[source]¶

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: Descriptor

get_3D_mol()¶

get_parameter_dict()¶

kekulize = False¶

parameter_names = ()¶

require_3D = False¶

require_connected = False¶

to_json()¶

Convert to json serializable dictionary.

Returns: dictionary of descriptor
Return type: dict