Abstract
In this work we show that the underlying structure of some graph theoretical invariants used to describe molecular structure, is the vector space Q(√2, √3) over the field Q of the rational numbers. On Q(√2, √3) we define a symmetric bilinear form and then proceed to use the Gram-Schmidt orthogonalization process. In this way we formalize Randi ' ̧ s idea of orthogonalizing molecular descriptors which is based on residuals of stepwise multiple regression analysis, since the results presented here make it possible to obtain a basis of graph theoretical invariants.
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