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This book is a monumental work of material medica and natural history. Li Shi-zhen completed it in 1578. In the 21st year of the Wanli era (1593), it was published by Hu Chenglong of Jinling, known as the Jinling edition. According to the Jinling edition's title, the medicinal illustrations were compiled by his son Li Jianzhong, and drawn by Li Jianyuan and Li Jianmu.

Bencao Gangmu has been published dozens of times over the past 400 years since its appearance, with numerous editions, known as "one ancestor and three lineages." The ancestor is the Jinling edition, which is further divided into three systems: the Jiangxi edition, the Qian edition, and the Zhang edition. The ancestor Jinling edition includes the Sheyuantang edition, with only 7 copies extant. The Jiangxi edition system was popular from the late Ming to the early Qing dynasty, including the Jiangxi edition (1603), Hubei edition, Shiquge edition, Lidatang edition, Shizhuzhai edition, Kanyong edition (Japan), Zhangchao edition, Jinchang edition, Wuzhitang edition, and the People's Medical Publishing House annotated edition (1977-1981), totaling 12 types. The Qian edition system was popular in the early to mid-Qing dynasty, including Qian Weiqi's edition (Wulin Qianheng edition, 1640), Japan's Sh?? 2nd year edition (1653), Taihetang edition, Japan's Manji 2nd year edition (1659), Benlitang edition, Wenhuitang edition, Siku Quanshu edition, Tongwentang pocket edition, totaling 38 types. The Zhang edition system became popular after the late Qing dynasty, including Zhang Shaotang's edition (Weiguzhai edition), engraved in 1885, with text cross-referenced from the Jiangxi and Qian editions, and medicinal illustrations redrawn based on the Qian edition (over 400 illustrations), appended with the Qing dynasty Zhao Xue-minBencao Gangmu Shiyi, widely circulated. Additionally, there are the Hongbaozhai edition, Tushu Jichengju edition, Tongwen Shuju edition, Cuiwen Shuju edition, Commercial Press edition, Japan's Handaya edition (engraved in 1913, reprinted in 1919, titled Supplemented Bencao Gangmu, with Common Index of Chinese Medicinal Names appended), Taipei Wenguang edition, Kowloon Qiushi Publishing House edition, People's Medical Publishing House facsimile edition (1957), Hong Kong Commercial Press edition, totaling 18 types.

The entire book consists of 52 volumes, documenting 1892 types of medicines, including 1094 types of plant medicines. Mineral, animal, and other medicines total 798 types, with 374 types newly added by Li. It includes 1109 illustrations and 11096 formulas, with over 8000 formulas collected or formulated by Li. Darwin mentioned the Ancient Chinese Encyclopedia in his works, and based on the cited materials, it refers to Bencao Gangmu.

After the book's appearance, it promoted the study of material medica and biology in China, leading to the emergence of a series of practical material medica works based on the data provided by Bencao Gangmu, with carefully selected medicines, illustrations, and formulas, suitable for clinical application, such as Selected Material Medica and Bencao Huiyan. Some expansive and supplementary works also appeared, such as Bencao Gangmu Shiyi and Zhiwu Mingshi Tukao. In 1606, the book was introduced to Japan and later to Europe through various channels, exerting significant influence abroad, with abridged translations in English, French, German, Japanese, and other languages.