Topolugical indices derived from the G(a, b, c) matrix, useful as physicocilemical property indices
Anton Perdih, Branislav Perdih · Acta chimica slovenica · 2004
From the G(a,b,c) matrix at least 20 groups of topological indices can be derived. Each of these groups contains an infinite number of possible indices. Some of these indices correlate by abs(r) m a x > 0.99, and a numberof them by abs(r) m a x > 0.9 with particular tested 29 resp. 31 physicochemical properties of alkanes. Therefore, their use in QSPR/QSAR models is recommended. The indices of these groups are not useful to predict the physicochemical properties: dc, Zc, A, Cohesive Energy Density, and Solubility Parameter.