CLARA: Compound Library Active Learning with Reasoning Agents
Batch active learning for ligand discovery requires a recurring decision about whether to exploit high predicted affinity, reduce model uncertainty, or broaden chemical coverage. We test whether a language model can make this strategy-level decision while candidate ranking and label revelation remain controlled by a de...
S. P. Srivastava, Vaidehi Saxena, Disha Singh et al.
· bioRxiv · 0 citations