Literature DB >> 11749577

A topological account of chirality.

I Lukovits1, W Linert.   

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


  3 in total

Review 1.  Global analysis of large-scale chemical and biological experiments.

Authors:  David E Root; Brian P Kelley; Brent R Stockwell
Journal:  Curr Opin Drug Discov Devel       Date:  2002-05

2.  The complex genetic architecture of the metabolome.

Authors:  Eva K F Chan; Heather C Rowe; Bjarne G Hansen; Daniel J Kliebenstein
Journal:  PLoS Genet       Date:  2010-11-04       Impact factor: 5.917

3.  BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR.

Authors:  Gregory Sliwoski; Edward W Lowe; Mariusz Butkiewicz; Jens Meiler
Journal:  Molecules       Date:  2012-08-20       Impact factor: 4.411

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.