In order to explore the medication rules and mechanisms of action of traditional Chinese Medicine (TCM) compound prescriptions in treating acute lung injury(ALI), data mining was used to investigate TCM oral prescriptions for ALI from databases. The Ancient and Modern Medical Case Cloud Platform was utilized to conduct frequency analysis of medication usage, analysis of medicinal properties, compatibility association analysis, cluster analysis, and complex analysis to identify core medications. Network pharmacology was used to ascertain the core chemical components and key targets through which the core medications exert their effects. Molecular docking method was applied for validation. The results show that 77 traditional prescriptions are included, involving 158 Chinese medicinal herbs. The primary herbal properties are cold, warm, and neutral. The predominant herbal flavors are bitter, sweet, and pungent. The main meridian tropisms are the lung, stomach, and heart meridians. Compatibility association analysis identifies 10 herb pairs with strong synergistic relationships, while cluster analysis categorizes the herbs into 4 functional groups based on therapeutic effects. The core medication group identified is Glycyrrhiza uralensis-Platycodon grandiflorus-Armeniacae semen amarum, with key active components including quercetin, kaempferol, luteolin, glabridin, and formononetin. The key targets are tumor protein p53 (TP53), Protein kinase B1 (AKT1), JUN (v-jun avian sarcoma virus 17 oncogene homolog), estrogen receptor 1 (ESR1), and tumor necrosis factor (TNF). KEGG enrichment analysis reveals 119 related pathways, and molecular docking results show 14 good docking effects. It is concluded that TCM treatment for lung injury focuses on clearing heat and detoxifying, purging fire and descending Qi, while also assisting with drying dampness and resolving phlegm, nourishing body fluids and supporting vital Qi. The core medication group often contains flavonoids, which may treat ALI by inhibiting the expression of inflammatory factors and responses, reducing lung tissue damage and improving lung function. This study provides novel insights into the formulation design, prescription optimization, and clinical application of TCM in the treatment of ALI.