扶摇AI知识笔记AI 前沿知识库
智能体应用

Evidence-Grounded Agentic Formulation Development in an Autonomous Laboratory

来源:arXiv cs.LG 论文速递 约 1812 字 agentic
arXiv cs.LG
转载

本文转载自 arXiv cs.LG,版权归原作者及原发布平台所有。本站仅作知识整理与转载分享,如涉版权问题请联系客服删除。

01核心要点

  • 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 desig

02正文全文

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%.

arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website.

Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them.

Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs.

03原文直达

本文内容转载自 arXiv cs.LG,如需查看原排版、配图与最新修订,请访问原始出处。

阅读原文(arXiv cs.LG)

下载论文 PDF

正在校验阅读权限…
RELATED

相关阅读

更多 智能体应用