---
id: 20260530-T0-12
title: "智能体工具规划优化分子先导化合物"
title_en: "Agent tool planning for molecular lead optimization"
url: https://ai.daily.yangsir.net/daily/20260530-T0-12
issue_date: 2026-05-30
publish_date: 2026-05-29T04:00:00.000Z
category: research
source_name: "arXiv cs.LG (ML)"
source_url: https://arxiv.org/abs/2605.28862
---

# 智能体工具规划优化分子先导化合物

研究提出基于智能体工具规划的分子先导化合物优化方法，通过自动规划多个优化阶段，显著提高药物发现效率。该技术可改进ADMET相关性质，将早期命中化合物转化为候选药物。

## English Version

**Agent tool planning for molecular lead optimization**

Molecular lead optimization is accelerated through agentic tool planning that automates multi-stage optimization, improving ADMET properties to transform early compounds into drug candidates.

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**来源**：[arXiv cs.LG (ML)](https://arxiv.org/abs/2605.28862)

**详情页**：https://ai.daily.yangsir.net/daily/20260530-T0-12

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