Pharmacology & ToxicologyJournal of Chemical Information and ModelingPeer-reviewed
✦ In-depth digest
Large Language Model Agent for Modular Task Execution in Drug Discovery
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan…·Amir Barati Farimani
AgentD, a GPT-4o agent wired to retrieval, generative, ADMET and Boltz-2 tools, chains early drug-discovery steps for BCL-2 and raised molecules with QED > 0.6 from 34 to 55.
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