A Topological Account of Chirality
István Lukovits, Wolfgang Linert · Journal of Chemical Information and Computer Sciences · 2001
Graph invariants may differentiate structural isomers but are inappropriate to account for stereoisomerism and to distinguish between chiral structures. This work is an attempt to address this problem. A chiral function F satisfying condition F(D) = -F(L), where D and L denote enantiomers of the same structure, has been applied in combination with Randic's index (1)chi(v). The resulting index chi(c) was used to explain the variance in thin-layer chromatographic retention indices.(1)