VeGA-RX and VeGA-SCX: Controllable SMARTS-Guided Generative Transformers for Precision-Driven <i>De Novo</i> Drug Design.

This trend was confirmed across two additional independent sampling replicates ( n = 10,000 molecules per replicate), indicating that the effect is not attributable to stochastic variability. Across all runs, the improvement in QED at T = 0.6 remained highly significant (one-way ANOVA p < 10 –175 ; Kruskal–Wallis p < 10 –180 ), with a similarly significant reduction in structural alerts ( p < 10 –2 ).

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