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Paper · arXiv

Evidence-Grounded Agentic Formulation Development in an Autonomous Laboratory

Self-emulsifying drug delivery systems (SEDDS) can improve the oral bioavailability of poorly soluble drugs, but identifying high-performing formulations remains experimentally intensive. We present Andromeda 2, an agentic system that reasons over structured in-house experimental evidence and invokes computational and experimental tools to design and execute successive formulation batches. Using a miniaturized automated laboratory at a matched budget, we benchmark it against Andromeda 1, a probabilistic optimization model deployed across dozens of live development projects, and a wet-lab design-of-experiments (DoE) campaign. For paclitaxel, Andromeda 2 achieved a 50% high-performance hit ...

AuthorsMichael M. Craig, Riley J. Hickman, Yingshan Ma et al.
Primary categorycs.LG
Published16 September 2026
Last updated at source16 September 2026
cs.LG
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