Abstract: The components of Polygoni Multiflori Radix, and its hepatotoxic mechanism were investigated by network toxicology and molecular docking technology. Firstly, a total of 497 hepatotoxicity targets were collected from the LIVER injury gene set in GEO database and the CTD database. Secondly, thirty toxic components of Polygoni Multiflori Radix were searched by literature and screened by CTD database. CTD database and SWISS database were used to predict the targets of toxic components. 59 overlapping targets of toxic components targets and the hepatotoxic targets were regarded as the hepatotoxic targets of the toxic components in Polygoni Multiflori Radix. 30 core targets were screened by Cytohubba. Then, the interaction network of hepatotoxic targets of the toxic components was analyzed by STRING database, and GO/KEGG analysis was performed by DAVID platform.It was found that the targets of toxic components were mainly concentrated in 228 GO entries and 34 signaling pathways. The network of "toxic components-hepatotoxic targets-signal pathways" was constructed by Cytoscape.Finally, the toxic components which were docked to CYP enzyme were virtually screening by Discovery Studio. The results of molecular docking showed that epigallocatechin gallate, hydroxyemodin and catechin had strong binding ability with CYP1A1, CYP1A2, CYP2E1, CYP2B6, CYP2C9 and CYP3A4. These components were likely to induce hepatotoxicity by inhibiting CYP450 isoenzyme activity.