1st_Zagreb
The sum of the square of vertex degree for all atoms
Edge_MTI
Edge MTI
2nd_Zagreb
The 2nd Zagreb index
Edge_Wiener_index
Edge Wiener index
2_MTI
2D Schultz MTI
Graph_diameter
Largest value in the distance matrix
2_MTI_prime
2D Schultz MTI'
Graph_distance_index
Graph distance index
Balaban_index_JX
Balaban index JX (relative electronegativity)
Graph_Petitjean
(graph diameter – graph radius) / graph diameter