Abstract
A novel molecular polynomial, P χ ( G, x), representing the connectivity between all pairs of atoms in a molecule is introduced. The connectivity index χ is obtained directly from the first derivative of this polynomial, P χ ′( G, x=0). A series of descriptors containing contributions coming from non-bonded atoms in the molecule is derived by variation of x in the polynomial, P χ ′( G, x≠0). Significant improvements compared to the χ index are obtained when the novel descriptors are used in QSPR studies. The physicochemical and structural interpretations of these indices are also advanced.
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