mordred.BCUT module¶

class mordred.BCUT.BCUT(prop='m', nth=0)[source]¶

Bases: mordred.BCUT.BCUTBase

BCUT descriptor.

Parameters:	prop (str or function) – atomic properties nth (int) – n-th eigen value. 0 is highest, -1 is lowest.
Returns:	NaN when any atomic properties are NaN \(\left| nth \right| > A\)

parameters()[source]¶

rtype¶

alias of float

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

require_3D = False¶

require_connected = True¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception