fig1

Figure 1. (A) Proposed data-driven framework integrating LLM-assisted literature mining, machine-learning prediction, mechanistic analysis, and experimental validation; (B) Machine-learning prediction of SuFEx reaction yields using curated reaction descriptors. This figure is reproduced with permission from reference^[3]. Copyright 2026 American Chemical Society. LLM: Large language model; SuFEx: Sulfur(VI) fluoride exchange; BTMG: 2-tert-butyl-1,1,3,3-tetramethylguanidine; HMDS: hexamethyldisilazane; RMSE: Root Mean Square Error; KNN: K-Nearest Neighbors; SVM: Support Vector Machine; RF: Random Forest; MACCS: molecular access system; FP: finger print; MS: molecular sieves; MWI: microwave irradiation.