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QSAR studies on antimalarial activities of 5-phenoxyprimaquines

This report presents the best possible QSAR models for predicting the antimalarial activities of 5-phenoxypnmaquines that can be obtained with electronic descriptors namely: energy of highest occupied molecular orbitals (E H ), energy of lowest unoccupied molecular orbitals (E L ), total π-electron energy (E Τ ) and charge density (CD). Excellent results are obtained by introducing indicator parameters.