Evidence-Grounded Agentic Formulation Development in an Autonomous Laboratory
Andromeda 2, an agentic laboratory system, reaches a 50% high-performance hit rate for paclitaxel SEDDS formulations versus 17% for its predecessor and 2% for DoE.
Andromeda 2 is an agentic system that reasons over structured in-house experimental evidence and invokes computational and experimental tools to design and execute successive formulation batches for self-emulsifying drug delivery systems (SEDDS). For paclitaxel it achieved a 50% high-performance hit rate versus 17% for Andromeda 1 and 2% for a wet-lab DoE campaign, identifying 12 formulations meeting all four target product profile objectives versus 6 and 0. A selected full-TPP formulation reached approximately 19% w/w apparent paclitaxel loading, about 3.3-fold higher than a published paclitaxel S-SEDDS, and an ablation showed structured evidence access increased mean AUC by 34%.
- Andromeda 2 hits 50% high-performance rate on paclitaxel SEDDS versus 17% for Andromeda 1.
- Identified 12 formulations meeting all four TPP objectives; DoE achieved none.
- Ablation shows access to structured in-house evidence increased mean AUC by 34%.
- Selected formulation achieved ~19% w/w paclitaxel loading, 3.3x a published S-SEDDS.
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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%.
Text extracted automatically; images, tables and formatting may be missing. Original: https://arxiv.org/abs/2609.19099