These were performed from structure groups with antimalarial defined on 5 Plasmodium falciparum strains, including chloroquin resistant (K1, FcB1, NF54, Dd2, W2) by 3 bio-assay methods, including (H3-Hypoxanthin) - uptake assay, parasite lactate dehydrogenase activity measuring and flow cytometry. Results: Resulting in 5 models (K1 - 1, FcB1 - 1, NF54 - 1, Dd2 - 1, W2 - 1) with R2 of training set, LOO and external set in the range of 0.57 - 0.86, RMSE in the range of 0.28 - 0.94, indicated that the ability of prediction over 50% and the bias between predicted antimalarial and experiment antimarial approved.