Table 2 Comparison of molecular optimization performance among MolFinder, REINVENT 4, and STELLA for the top 300 molecules in the final iteration/epoch. Performance metrics include average objective score, average pairwise Tanimoto similarity, and the number of clusters based on Sphere Exclusion algorithm with a similarity threshold of 0.3.

From: STELLA provides a drug design framework enabling extensive fragment-level chemical space exploration and balanced multi-parameter optimization