To refine the assessment of molecule excitation energies via precise TDDFT quantum chemical calculations, we conducted additional screening of the molecules. Given that drug delivery molecules, while not directly engaged in target binding at the lesion site, still exert direct effects on the human body, drug-like characteristics are equally crucial for the generated molecules. The parameter-tuned UVGPT inherited the pretrained model's performance on PubChem, with the distribution calculated using the QED method illustrated in Figure .