Graphical Matrices as Sources of Double Invariants for Use in QSPR (CROSBI ID 519270)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Nikolić, Sonja ; Miličević, Ante ; Trinajstić, Nenad
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)
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Podaci o prilogu
750-752.
2004.
objavljeno
Podaci o matičnoj publikaciji
Proceedings of the International conference on computational methods in sciences and engineering 2004
Simos, George Maroulis E. ; Simos, Theodorre
Leiden: Brill
9067644188
Podaci o skupu
The international conference on computational methods in sciences and engineering 2004 : ICCMSE 2004
pozvano predavanje
19.11.2004-23.11.2004
Atena, Grčka; Vouliagmeni, Grčka; Atika, Grčka