mordred.Framework module

class mordred.Framework.Framework

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

rtype

alias of float

explicit_hydrogens = True

from_json(obj)

create Descriptor instance from json dict.

Parameters:obj (dict) – descriptor dict Returns:descriptor Return type:Descriptor

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