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7604524 
Journal Article 
On the discriminatory power of the Zagreb indices for molecular graphs 
Vukicevic, D; Trinajstic, N 
2005 
1 
Match (Mülheim an der Ruhr, Germany)
ISSN: 0340-6253 
UNIV KRAGUJEVAC, FAC SCIENCE 
KRAGUJEVAC 
53 
1 
111-138 
WOS:000229160200007 
An algorithm is presented for studying the discriminatory power of molecular descriptors, which is exemplified on the Zagreb M-2 index and the modified Zagreb *M-2 index for molecular graphs. It is found that the Zagreb M-2 index is more discriminative quantity than the modified Zagreb *M-2 index. This result is surprising since one would expect the reverse result because the Zagreb M-2 indices belong to the set of natural numbers whilst the modified Zagreb *M-2 indices to the set of rational numbers. The discriminatory power of the first two Randic connectivity indices: (0)chi and (1)chi as also investigated because the Randic indices are grounded in the Zagreb indices though they were obtained in quite a different way. In this case, it is obtained that (0)chi and (1)chi indices discriminate all graphs with up to 18 vertices. In the case of graphs with 19 vertices, it has been found a pair of graphs that cannot be discriminated by (0)chi and (1)chi indices.