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Evidence-Grounded Agentic Formulation Development in an Autonomous Laboratory

arXiv cs.LG Medical/Healthcare AI Michael M. Craig, Riley J. Hickman, Yingshan Ma, Rémi Piché-Taillefer, Christine Allen, Pauric Bannigan 2026-09-16

TL;DR - Andromeda 2 is an evidence-grounded agentic system that autonomously designs and tests drug formulations using computational tools and a miniaturized laboratory. For paclitaxel delivery, it substantially outperformed probabilistic optimization and design-of-experiments baselines under a matched budget.

  • Achieved a 50% high-performance formulation hit rate, versus 17% for Andromeda 1 and 2% for wet-lab DoE.
  • Identified 12 formulations satisfying all four target product profile objectives, compared with 6 and 0 for the baselines.
  • Its median paclitaxel AUC was 70.1 mg·min/mL, versus 12.0 and 3.5 mg·min/mL.
  • Structured in-house experimental evidence raised mean AUC by 34% in a controlled ablation, highlighting the value of evidence-grounded agentic reasoning.

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