Abstract: Objective To keep track of current research on toxicity prediction of traditional Chinese medicines (TCM) so as to help gain keen insights into the toxicity of TCM. Methods Based on literature, this paper categorized and summarized the concepts and methods of TCM toxicity prediction in recent years. Results According to concepts of prediction, the methods for toxicity prediction TCM could be roughly divided into three categories: those based on quantitative structure-activity relationships, network toxicology, and on theories of properties of TCM. Future developments of toxicity prediction of TCM and its guidance in clinical medications were presented. The concept of “compound toxic effect network of ingredient-omics based on multiple levels” was proposed for TCM toxicity prediction in hopes of implementing integrated TCM toxicity prediction. Conclusion The TCM toxicity prediction methods currently available can not only provide evidence for the formulation of non-toxic drug regimens for “toxic” TCM, but also facilitate clinical compatibility and attenuation of TCM.

Key words: toxicity prediction of traditional Chinese medicines, QSAR, network toxicology, theory of properties of traditional Chinese medicines