Extended Data Fig. 2: Description of the three HTE datasets.
From: Large language models to accelerate organic chemistry synthesis
(a) Pd-catalysed Buchwald-Hartwig C-N coupling reaction: aryl halides, isoxazole additives, Pd precatalyst, ligands and bases. (b) Suzuki–Miyaura reaction, consisting of the reaction yield measured as a function of boronic acid derivative, aryl halide, ligand, base and solvent. (c) C-H arylation dataset components: ligands, imidazoles, aryl bromides.
