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- W2058070161 abstract "The 3D QSAR analyses of antimalarial alkoxylated and hydroxylated chalcones were first conducted by Comparative molecular field analysis (CoMFA) and Comparative similarity indices analysis (CoMSIA) to determine the factors required for the activity of these compounds. Satisfactory results were obtained after performing a leave-one-out (LOO) cross-validation study with cross-validation q2 and conventional r2 values of 0.740 and 0.972 by the CoMFA model, 0.714 and 0.976 by the CoMSIA model, respectively. The results provided the tools for predicting the affinity of related compounds, and for guiding the design and synthesis of novel and more potent antimalarial agents." @default.
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- W2058070161 date "2004-09-01" @default.
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- W2058070161 title "3D QSAR studies on antimalarial alkoxylated and hydroxylated chalcones by CoMFA and CoMSIA" @default.
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- W2058070161 doi "https://doi.org/10.1016/j.ejmech.2004.05.009" @default.
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