| Literature DB >> 11749577 |
Abstract
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)Year: 2001 PMID: 11749577 DOI: 10.1021/ci0100346
Source DB: PubMed Journal: J Chem Inf Comput Sci ISSN: 0095-2338