{"ID":22952791,"CreatedAt":"2026-09-17T02:12:05.498442134Z","UpdatedAt":"2026-09-20T18:11:56.143995915Z","DeletedAt":null,"paper_url":"https://arxiv.org/abs/2609.19099","arxiv_id":"2609.19099","title":"Evidence-Grounded Agentic Formulation Development in an Autonomous Laboratory","abstract":"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 rate versus 17% for Andromeda 1 and 2% for DoE, and identified 12 formulations meeting all four target product profile (TPP) objectives versus 6 and 0, respectively. Median $AUC_{10-240}$ was 70.1, 12.0, and 3.5 mg$\\cdot$min/mL, while maximum AUC was comparable between Andromeda 2 and Andromeda 1. A selected full-TPP formulation achieved an apparent effective paclitaxel loading of $19 \\pm 5\\%$ w/w at the first FaSSIF measurement, approximately 3.3-fold higher than the 5.7% w/w loading reported for a published paclitaxel S-SEDDS. A controlled ablation showed that access to structured in-house experimental evidence increased mean AUC by 34%.","short_abstract":"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...","url_abs":"https://arxiv.org/abs/2609.19099","url_pdf":"https://arxiv.org/pdf/2609.19099v1","authors":"[\"Michael M. Craig\",\"Riley J. Hickman\",\"Yingshan Ma\",\"Rémi Piché-Taillefer\",\"Christine Allen\",\"Pauric Bannigan\"]","published":"2026-09-16T17:31:27Z","proceeding":"cs.LG","tasks":"[\"cs.LG\"]","methods":"[]","has_code":false}