mordred.Lipinski module¶

class mordred.Lipinski.Lipinski[source]¶

Bases: mordred.Lipinski.LipinskiLike

Lipinski rule of 5 descriptor.

LogP: SLogP

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = True¶

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 bool

class mordred.Lipinski.GhoseFilter[source]¶

Bases: mordred.Lipinski.LipinskiLike

Ghose filter descriptor.

LogP, MR: SLogP, SMR

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = True¶

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 bool