mordred.ZagrebIndex module

class mordred.ZagrebIndex.ZagrebIndex(version=1, variable=1)

Bases: mordred._base.Descriptor

Zagreb index descriptor.

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

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

gasteiger_charges = False

kekulize = False

require_connected = False

rtype

alias of float