Fig. 7 | Scientific Reports

Fig. 7

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

Fig. 7

Schematic visualization of molecule selection over iterations with progressively decreasing distance cutoff. Gray dots represent candidate molecules, while red dots indicate selected molecules. The curved boundary illustrates the reduction of the distance cutoff as iterations progress, shifting the selection strategy from promoting diversity to focusing on local exploration.

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