mordred.LogS module¶

class mordred.LogS.LogS[source]¶

Bases: mordred._base.descriptor.Descriptor

Filter-it™ LogS descriptor.

http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/filter-it/1.0.2/filter-it.html#installation

since = StrictVersion ('1.1')¶

explicit_hydrogens = False¶

kekulize = False¶

description()[source]¶

rtype¶: alias of builtins.float

config¶

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()¶

parameter_names = ()¶

require_3D = False¶

require_connected = False¶

to_json()¶

Convert to json serializable dictionary.

Returns: dictionary of descriptor
Return type: dict