The Delta score was computed for all sampled molecules during fine-tuning experiments (Fig. ). The percentage of molecules with a negative Delta exceeded 40% for the first 20 finetuning epochs and remained above 10% until the end of fine-tuning (Fig. ). This suggests that 10%-40% of the molecules were generated based on "generic" pretraining, instead of "taskfocused" fine-tuning. As such, this highlights the practicability of the proposed Delta score as an indicator to (i) detect potential pretraining bias, (ii) identify the best-suited epoch for a productive sampling of molecules that fulfill the study goals, and (iii) select the most promising de novo designs.