AbstractThe first Zagreb index M1(G) and the second Zagreb index M2(G) of a (molecular) graph G are defined as M1(G)=∑u∈V(G)(d(u))2 and M2(G)=∑uv∈E(G)d(u)d(v), where d(u) denotes the degree of a vertex u in G. The AutoGraphiX system [M. Aouchiche, J.M. Bonnefoy, A. Fidahoussen, G. Caporossi, P. Hansen, L. Hiesse, J. Lacheré, A. Monhait, Variable neighborhood search for extremal graphs. 14. The AutoGraphiX 2 system, in: L. Liberti, N. Maculan (Eds.), Global Optimization: From Theory to Implementation, Springer, 2005; G. Caporossi, P. Hansen, Variable neighborhood search for extremal graphs: 1 The AutoGraphiX system, Discrete Math. 212 (2000) 29–44; G. Caporossi, P. Hansen, Variable neighborhood search for extremal graphs. 5. Three ways to au...