Summary: By the JSM method of forming hypotheses, the authors analyzed the relation between structure and hepatoprotector detoxifying activity (HDA). The teaching sample included 56 substances: salts of orotic acid and amino acids or amines, salts of amino acids with various organic acids, salts of amines and guanidines with organic acids, lactams and thiolactams, etc. As a result of the analysis, nine pharmacophores were singled out: structural traits promoting the manifestation of HDA; and 10 antipharmacophores: structural traits preventing the manifestation of HDA. The prediction of activity for four substances of a control sample (two active and two inactive) was fully confirmed by the experiments that were conducted.