To evaluate the quality of the designed candidate molecules, we categorize them into the 490 three classes defined in Table . Figure presents the total number and the distribution of designed candidate molecules across each class of two cases. The application of the warm-started COSMO-CAMD framework substantially increases the number of elite molecules: Around 42% of the total designed candidate molecules in the augmented case belong to the elite molecules, while this percentage value drops to 9.5% in the benchmark case. Particularly noteworthy is the discovery of two novel candidate molecules in the excellent class in all six runs in the augmented case, which is absent in the benchmark case. Furthermore, the number of candidate molecules found in the good class is five times higher than that in the benchmark case. In addition, the standard deviation of the benchmark case is significantly larger than that in the augmented case. In this context, the 500 warm-started COSMO-CAMD framework outperforms the original framework by generating a greater number of high-quality candidate molecules. Overall, these results further validate the enhanced efficiency, effectiveness and robustness of our method for targeted molecular design.