ProtChat: An AI Multi-Agent for Automated Protein Analysis Leveraging GPT-4 and Protein Language Model.

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL Journal of Chemical Information and Modeling Pub Date : 2025-01-13 Epub Date: 2024-12-17 DOI:10.1021/acs.jcim.4c01345
Huazhen Huang, Xianguo Shi, Hongyang Lei, Fan Hu, Yunpeng Cai
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Abstract

Large language models (LLMs) have transformed natural language processing, enabling advanced human-machine communication. Similarly, in computational biology, protein sequences are interpreted as natural language, facilitating the creation of protein large language models (PLLMs). However, applying PLLMs requires specialized preprocessing and script development, increasing the complexity of their use. Researchers have integrated LLMs with PLLMs to develop automated protein analysis tools to address these challenges, simplifying analytical workflows. Existing technologies often require substantial human intervention for specific protein-related tasks, maintaining high barriers to implementing automated protein analysis systems. Here, we propose ProtChat, an AI multiagent system for protein analysis that integrates the inference capabilities of PLLMs with the task-planning abilities of LLMs. ProtChat integrates GPT-4 with multiple PLLMs, like ESM and MASSA, to automate tasks such as protein property prediction and protein-drug interactions without human intervention. This AI agent enables users to input instructions directly, significantly improving efficiency and usability, making it suitable for researchers without a computational background. Experiments demonstrate that ProtChat can automate complex protein tasks accurately, avoiding manual intervention and delivering results rapidly. This advancement opens new research avenues in computational biology and drug discovery. Future applications may extend ProtChat's capabilities to broader biological data analysis. Our code and data are publicly available at github.com/SIAT-code/ProtChat.

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protechat:利用GPT-4和蛋白质语言模型进行自动蛋白质分析的人工智能多代理。
大型语言模型(llm)已经改变了自然语言处理,使先进的人机通信成为可能。同样,在计算生物学中,蛋白质序列被解释为自然语言,促进了蛋白质大语言模型(PLLMs)的创建。然而,应用pllm需要专门的预处理和脚本开发,这增加了其使用的复杂性。研究人员将llm与pllm集成在一起,开发自动化蛋白质分析工具来解决这些挑战,简化分析工作流程。现有技术通常需要大量的人为干预来完成特定的蛋白质相关任务,这对实现自动化蛋白质分析系统保持了很高的障碍。在这里,我们提出了ProtChat,一个用于蛋白质分析的AI多智能体系统,它将PLLMs的推理能力与llm的任务规划能力集成在一起。ProtChat将GPT-4与多个pllm(如ESM和MASSA)集成在一起,无需人工干预即可自动完成蛋白质特性预测和蛋白质-药物相互作用等任务。这种人工智能代理可以让用户直接输入指令,大大提高了效率和可用性,适合没有计算背景的研究人员。实验证明,ProtChat可以准确地自动完成复杂的蛋白质任务,避免人工干预,快速提供结果。这一进展为计算生物学和药物发现开辟了新的研究途径。未来的应用程序可能会将ProtChat的功能扩展到更广泛的生物数据分析。我们的代码和数据可以在github.com/SIAT-code/ProtChat上公开获取。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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