mordred.ZagrebIndex module

class mordred.ZagrebIndex.ZagrebIndex(version=1, variable=1)[source]

Bases: mordred._base.descriptor.Descriptor

Zagreb index descriptor.

\[ \begin{align}\begin{aligned}{}^\lambda M_1 = \sum_{atoms} d_i^\lambda\\{}^\lambda M_2 = \sum_{edges} \left(d_i \cdot d_j \right)^\lambda\end{aligned}\end{align} \]

where \(d_i\) is degree of i-th atom

Parameters:
  • version (int) – Zagreb index version. 1 or 2.
  • variable (int) – lambda value.
Returns:

NaN when valence of any atoms are 0
explicit_hydrogens = False
rtype

alias of float

kekulize = False
require_3D = False
require_connected = False