mordred.SLogP module¶

Wildman-Crippen LogP/MR descriptor.

References

• [WC99]

class mordred.SLogP.SLogP[source]¶

Bases: mordred.SLogP.WildmanCrippenBase

Wildman-Crippen LogP descriptor(rdkit wrapper).

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = False¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float

class mordred.SLogP.SMR[source]¶

Bases: mordred.SLogP.WildmanCrippenBase

Wildman-Crippen MR descriptor(rdkit wrapper).

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = False¶

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

parameters()¶

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception

rtype¶

alias of float