Abstract: The "Heterogeneous Restriction” theory comes from the clinical， which is the innovation of the traditional Chinese medicine theory， plays an important role in guiding the clinical application of toxic Chinese medicine. Under the guidance of "Heterogeneous Restriction” theory， in order to clarify the inherent mechanism of the compatibility of Chinese herbal medicine compound prescription， we must clarify the material base of detoxicity effect. Study on the mechanism of detoxicity effect on the basis of the compound prescription of Chinese herbal medicine， we should focus on three approaches: the toxic chemical constituents， the metabolism of toxic components， the correlation between toxic substances and effects. To explore in this field， we must .fully use the latest technology and research methods of modern science， and strengthen a multidisciplinary collaboration.