engleski

Graphical Matrices as Sources of Double Invariants for Use in QSPR

Graphical matrices are presented. Their construction via selected sets of subgraphs and the replacement of subgraphs by numbers representing graph invariants are discussed. The last step of the procedure is to apply the method of choice for obtaining the desired double invariant from the graphical matrix in the numerical form. It is also pointed out that many so-called special graph-theoretical matrices from the literature are rooted in the corresponding graphical matrices.

graphical matrices; chemical graph theory; double > invariants; QSPR

Lecture Series on Computer and Computational Sciences (ISSN 1573-4196)