[2508.10760] FROGENT: An End-to-End Full-process Drug Design Multi-Agent System

Quantitative Biology > Biomolecules arXiv:2508.10760 (q-bio) [Submitted on 14 Aug 2025 (v1), last revised 1 Mar 2026 (this version, v2)] Title:FROGENT: An End-to-End Full-process Drug Design Multi-Agent System Authors:Qihua Pan, Dong Xu, Qianwei Yang, Jenna Xinyi Yao, Sisi Yuan, Zexuan Zhu, Jianqiang Li, Junkai Ji View a PDF of the paper titled FROGENT: An End-to-End Full-process Drug Design Multi-Agent System, by Qihua Pan and 7 other authors View PDF Abstract:Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software, and code libraries, resulting in incompatible interfaces and inefficient, burdensome workflows. To overcome these challenges, we propose FROGENT, a full-process drug design multi-agent system that leverages the planning, reasoning, and tool-use capabilities of large language models (LLMs) to unify drug discovery within a closed-loop and autonomous framework. FROGENT is a collaborative multi-agent system comprising a central Orchestrate Agent for strategic workflow coordination and three distributed agents, Retrieve, Forge, and Gauge, that employ dynamic biochemical databases, extensible tool libraries, and task-specific computational models via the Model Context Protocol. This architecture enables end-to-end execution of complex drug discovery pipelines, covering target identifica...