QSAR study on murine recombinant isozyme mCAXIII: topological vs structural descriptors
Jyoti Singh, Shalini Singh, S. Thakur, c Meenakshi Lakhwani, Padmakar V. Khadikar, Vijay K. Agrawal, Claudiu Trandafir Supuran · ARKIVOC · 2006
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.