mordred.SLogP module

Wildman-Crippen LogP/MR descriptor.

References

• doi:10.1021/ci990307l

class mordred.SLogP.SLogP

Bases: mordred.SLogP.WildmanCrippenBase

Wildman-Crippen LogP descriptor(rdkit wrapper).

explicit_hydrogens = False

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

rtype

alias of float

to_json()

Convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict

class mordred.SLogP.SMR

Bases: mordred.SLogP.WildmanCrippenBase

Wildman-Crippen MR descriptor(rdkit wrapper).

explicit_hydrogens = False

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

rtype

alias of float

to_json()

Convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict