To expand the analysis, we focused on the 50 top scoring molecules generated via multinomial sampling. We discovered that among them, only up to 3% of the molecules received a negative Delta score (Supplementary Fig. ). This shows that using perplexity alone reduces the pretraining bias. However, the pretraining bias was not completely removed, which highlights the benefits of using both the perplexity and Delta score for molecule prioritization prior to synthesis and biological testing.