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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Satya Pratik Srivastava

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#small language model Open access Oct 2026

Do LLM Proposers Improve Budgeted Search for Ionizable Lipids?

Efficient lipid design under limited experimental budgets is a central challenge in computational chemistry and drug discovery. We introduce LEAF (Lipid Evolutionary Adaptive Framework), a matched-budget protocol for testing whether language-model proposers improve combinatorial molecular search relative to classical b...

Harshit Singh, RAJEEV KUMAR SINGH, Chundru Sharath Krishna et al. · 0 citations
#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. · 0 citations

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