代谢物Annotator:人工智能辅助名称协调和元数据丰富工具用于代谢学
Zhong-Hua Lu1, Chen Tang1, Rui Guo1
1School of Public Health, Xiamen University, Xiamen, Fujian 361102, China.
Journal of proteome research
|February 15, 2026
概括
代谢物Annotator是一个人工智能工具,通过协调名称和整合各种数据库,简化了代谢物数据的丰富. 它显著提高了代谢学研究的准确性和效率.
科学领域:
- 代谢学 代谢学 代谢学
- 生物信息学是一种生物信息学.
- 计算生物学 计算生物学
背景情况:
- 代谢物元数据丰富至关重要,但由于静态数据库和手动验证而受到挑战.
- 目前的方法在不完整的覆盖和劳动密集型过程中扎.
研究的目的:
- 开发一个人工智能辅助的应用程序,MetaboliteAnnotator,用于自动化代谢物名称协调和元数据丰富.
- 提高在代谢学研究中的代谢物注释的准确性和效率.
主要方法:
- 开发了一个基于R Shiny的应用程序,MetaboliteAnnotator.
- 实施了等级程序,包括本地数据库匹配,PubChem检索和人工智能辅助匹配.
- 来自KEGG,CTD,Reactome和ChEBI的综合数据用于全面丰富.
主要成果:
- 与现有的工具相比,MetaboliteAnnotator获得了更高的名称命中率 (93.2%的阳性,93.5%的负面模式).
- 在6个MetaboLights数据集中表现出卓越的性能.
- 成功标准化标识符和丰富的元数据,包括路径和基因/表型关联.
结论:
- 代谢物Annotator为代谢物元数据丰富提供了强大而高效的解决方案.
- 该工具通过提供标准化标识符和丰富的元数据来增强下游生物解释.
- 人工智能辅助的协调在代谢学数据分析中明显优于以前的方法.
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