QSAR study on murine recombinant isozyme mCAXIII: Topological vs structural descriptors

Abstract

The paper describes a first novel QSAR study on murine recombinant isozyme mCAXIII. A comparative study on modeling of inhibition of this isozyme is made using a series of topological, structural descriptors as well as their combinations. The results have shown that distance-based topological indices yield significantly better models than the structural descriptors and the combination of topological and structural descriptors. In all the three cases the Balaban type indices played a dominating role. ©ARKAT.