Performance of kier-hall e-state descriptors in quantitative structure activity relationship (qsar) studies of multifunctional moleculesPerformance of the E-state descriptors was tested against simple counts of the 35 atom types that the Kier-Hall E-states are based upon, by building PLS models for clogP, aqueous solubility, human intestinal absorption (HIA) and blood brain barrier (BBB)....
Report on my stay at the kyoto institute of economic researchThis document is a report on my stay as a visiting fellow at the Kyoto Institute of Economic Research (KIER), financed by the International Research Unit of Advanced Future Studies....
Simulation of flux distributions on the foam absorber with solar reactor for thermo-chemical two-step water splitting h2 production cycle by the 45 kwth kier solar furnace ... This study aims to understand of characters of concentrated sun rays through KIER solar furnace and design of device shape for uniform heat distribution on the device surface....
Computational modeling of substitution effect on hiv–1 non–nucleoside reverse transcriptase inhibitors with kier– hall electrotopological state (e–state) indicesMotivation The application of Kier–Hall electrotopological state (E–state) indices has helped in deriving mathematical models, where the electronic attributes of an atom in a chemical graph could be encoded...
