targets because of their regulatory role in lipid metabolism and inflammation, thereby causing increased reverse cholesterol transport and reduction of atherosclerosis. With 28 molecules successfully synthesized and validated for LXR activation in vitro, this present study pioneers the integration of generative artificial intelligence and automated synthesis by designing and experimentally testing the highest number of molecules reported thus far. The proposed modular framework has the potential to speed up the DMTA cycle, thereby addressing one of the main bottlenecks of the pre-clinical drug discovery process.