QSAR studies on benzopyran potassium channel activators.

摘要

QSAR studies on a series of benzopyrans as potassium channel activators have been carried out using a large set of distance-based topological indices. In addition, the molecular descriptors namely: negentropy and molecular redundancy indices have also been used. The relaxant potency in rat trachea, expressed as pEC(50) was used for biological characterization of the benzopyrans. The results have shown that pEC(50) can be modeled excellently in multiparametric model in that we have to include an indicator parameter. The predictive powers of the proposed models are discussed on the bases of cross-validation parameters.