arXiv:2511.18259cs.CLcs.MA2025-11被引 1

用多智能体系统帮药企找回沉睡研发数据,让老项目重焕价值。

DiscoVerse: Multi-Agent Pharmaceutical Co-Scientist for Traceable Drug Discovery and Reverse Translation

  • 设计专业分工的智能体,模拟科学家工作流程。
  • 在180个分子上实现近100%召回率,精准匹配历史数据。
  • 适合药企研发人员逆向追溯药物开发全流程。

药物研发积累了海量异构数据,其中许多来自中止项目,重新利用这些资料对逆向转化至关重要。然而实际操作中往往难以实现。本文提出DiscoVerse,一个面向罗氏制药研发的多智能体协作科学助手。作为人机协同工具,它能根据领域问题提供基于证据的答案:检索相关数据、跨文档关联、总结关键发现,并保存机构知识记忆。我们通过专家对溯源输出的评估来验证其效果。评估涵盖罗氏研发库中180个分子,数据总量超过0.87亿个BPE token,覆盖四十余年研究。据我们所知,这是首个在真实制药数据上系统评估的代理框架,依托授权访问的保密档案,覆盖药物开发全生命周期。贡献包括:与科研流程匹配的角色专用智能体设计;人机协同支持逆向转化;专家评估体系;大规模实证演示,展现有前景的决策洞察。简言之,在七项基准查询中,DiscoVerse达成≥0.99的召回率(中等精确率0.71–0.91)。定性评估及三个真实医药案例进一步证明其能忠实整合临床前与临床证据。

原文摘要 · Abstract (English)

Pharmaceutical research and development has accumulated vast and heterogeneous archives of data. Much of this knowledge stems from discontinued programs, and reusing these archives is invaluable for reverse translation. However, in practice, such reuse is often infeasible. In this work, we introduce DiscoVerse, a multi-agent co-scientist designed to support pharmaceutical research and development at Roche. Designed as a human-in-the-loop assistant, DiscoVerse enables domain-specific queries by delivering evidence-based answers: it retrieves relevant data, links across documents, summarises key findings and preserves institutional memory. We assess DiscoVerse through expert evaluation of source-linked outputs. Our evaluation spans a selected subset of 180 molecules from Roche's research and development repositories, encompassing over 0.87 billion BPE tokens and more than four decades of research. To our knowledge, this represents the first agentic framework to be systematically assessed on real pharmaceutical data for reverse translation, enabled by authorized access to confidential archives covering the full lifecycle of drug development. Our contributions include: role-specialized agent designs aligned with scientist workflows; human-in-the-loop support for reverse translation; expert evaluation; and a large-scale demonstration showing promising decision-making insights. In brief, across seven benchmark queries, DiscoVerse achieved near-perfect recall ($\geq 0.99$) with moderate precision ($0.71-0.91$). Qualitative assessments and three real-world pharmaceutical use cases further showed faithful, source-linked synthesis across preclinical and clinical evidence.

药物发现多智能体逆向转化知识检索

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