Discriminating tests of information and topological indices. Animals and trees.
In this paper we consider 13 information and topological indices based on the distance in a molecular graph with respect to their discrimination power. The numerical results of discriminating tests on 3490528 trees up to 21 vertices are given. The indices of the highest sensitivity are listed on the set of 1528775 alkane trees. The discrimination powers of indices are also examined on the classes of 849285 hexagonal, 298382 square, and 295365 triangular simply connected animals. The first class of animals corresponds to the structural formulas of planar benzenoid hydrocarbons. The values of all indices were calculated for all classes of animals as well as for the united set of 1443032 animals. The inspection of the data indicates the great sensitivity of four information indices and one topological index.
Konstantinova
Elena V
EV
Sobolev Institute of Mathematics, Novosibirsk 630090, Russia. e_konsta@math.nsc.ru
Vidyuk
Maxim V
MV