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S. P. Srivastava

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#small language model Open access Oct 2026

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

Open access Oct 2026

GRASP: Graph Representation Learning with Assay Supervision for Molecular Properties

Molecular structures are abundant, but measured properties are scarce and scattered across assays that each cover different compounds. Most molecular pretraining pipelines use only the structures, moving directly from self-supervision to endpoint-specific fine-tuning and leaving large, sparsely labelled bioactivity dat...

S. P. Srivastava, R. Gorantla, Sharath Krishna Chundru et al. · bioRxiv · 0 citations