mordred.BCUT module

class mordred.BCUT.BCUT(prop='m', nth=0)

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
• \(\left| nth \right| > A\)

explicit_hydrogens = False

gasteiger_charges

kekulize = False

require_connected = True

rtype

alias of float