In this work, the compounds quercetin and cynaroside of flavonoid derivatives were isolated from Cynara scolymus L. and Artocarpus Incisa L. with toxigenicity activity for Hela cell line. The models QSARMLR (k = 9) with R 2 train of 0.955, R 2 pred of 0.932 and QSARANN I(9)-HL(5)-O(1) with R 2 train of 0.996 and R 2 pred of 0.988 were constructed to define the activity pGI50 of flavonoids for cell line Hela. The model QSARANN was used to predict the pGI50 of 10 new designed compounds from lead compouds quercetin and cynaroside. The value MARE,% of 1.864 for the predicted results pGI50 from QSARANN was smaller than the value MARE,% = 3.906% of QSARMLR model. The anticancer activities of quercetin and cynaroside, and 10 new designed coumpounds resulting from model QSARANN were a good agreement with those from experiment and higher those from lead coumpounds, respectively.
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