Article

HTS-Oracle: Experimentally validated AI-enabled prioritization for generalizable small molecule hit discovery

2025-12-01

Abstract excerpt

High-throughput screening (HTS) remains a central pillar of small molecule discovery yet routinely fails for immune receptors and protein-protein interaction-driven targets. Here, we introduce HTS-Oracle, an experimentally validated AI system for prospective hit discovery that integrates molecular language modeling with cheminformatics to prioritize bioactive compounds at scale. We deploy HTS-Oracle across three c...

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Literature Corpus work: 074744ee-9d47-5126-b821-6b2f6e506ad2
DOI: 10.1101/2025.11.26.690784

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