INDEX combinatorial models

Tratch, S.S., Devdariani, R.Q. and Zefirov, N.S. (1990a). Combinatorial Models and Algorithms in Chemistry. Topological-Configurational Analogs of the Wiener Index. Zh.Org.Khim., 26, 921-932. 

Tratch, S.S., Stankevitch, I.V. and Zefirov, N.S. (1990) Combinatorial models and algorithms in chemistry. The expanded Wiener number- a novel topological index. J. Comput. Chem., 11, 899-908. 

The full combinatorial search (Tables 7.9 and 7.10) confirms the superior model quality of M normalized indices, plus A index, already found with the greedy search (Tables 7.7 and 7.8), even if it does not need any empirical parameters to improve the model quality. The zero-level description shown in Tables 7.11 and 7.12 is not... 

The idea here is ultimately to combine all the characterization methods in order to parameterize the model of the component with an increasingly high confidence index , and increasingly rapidly. Figure 2.40 shows a diagrammatic representation of this original combinatorial approach. 

It is instructive to consider a one-dimensional model. We may then drop the index k, because there exists only one type of cluster. Moreover any arrangement of the clusters is geometrically possible, and we have for the combinatorial factor (cf. 6.2.6)... 

---