MiCId GUI: The Graphical User Interface for MiCId, a Fast Microorganism Classification and Identification Workflow with Accurate Statistics and High Recall.

IF 1.4 4区 生物学 Q4 BIOCHEMICAL RESEARCH METHODS Journal of Computational Biology Pub Date : 2024-02-01 Epub Date: 2024-02-02 DOI:10.1089/cmb.2023.0149
Aleksey Ogurtsov, Gelio Alves, Alex Rubio, Brendan Joyce, Björn Andersson, Roger Karlsson, Edward R B Moore, Yi-Kuo Yu
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Abstract

Although many user-friendly workflows exist for identifications of peptides and proteins in mass-spectrometry-based proteomics, there is a need of easy to use, fast, and accurate workflows for identifications of microorganisms, antimicrobial resistant proteins, and biomass estimation. Identification of microorganisms is a computationally demanding task that requires querying thousands of MS/MS spectra in a database containing thousands to tens of thousands of microorganisms. Existing software can't handle such a task in a time efficient manner, taking hours to process a single MS/MS experiment. Another paramount factor to consider is the necessity of accurate statistical significance to properly control the proportion of false discoveries among the identified microorganisms, and antimicrobial-resistant proteins, and to provide robust biomass estimation. Recently, we have developed Microorganism Classification and Identification (MiCId) workflow that assigns accurate statistical significance to identified microorganisms, antimicrobial-resistant proteins, and biomass estimation. MiCId's workflow is also computationally efficient, taking about 6-17 minutes to process a tandem mass-spectrometry (MS/MS) experiment using computer resources that are available in most laptop and desktop computers, making it a portable workflow. To make data analysis accessible to a broader range of users, beyond users familiar with the Linux environment, we have developed a graphical user interface (GUI) for MiCId's workflow. The GUI brings to users all the functionality of MiCId's workflow in a friendly interface along with tools for data analysis, visualization, and to export results.

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MiCId GUI:MiCId 的图形用户界面,这是一种具有精确统计和高召回率的快速微生物分类和鉴定工作流程。
尽管在基于质谱的蛋白质组学中,有许多用户友好型工作流程可用于肽和蛋白质的鉴定,但在微生物、抗微生物蛋白和生物量估算的鉴定方面,仍需要简单易用、快速准确的工作流程。微生物鉴定是一项计算要求很高的任务,需要查询包含数千到数万种微生物的数据库中的数千个 MS/MS 图谱。现有软件无法高效地处理此类任务,处理一次 MS/MS 实验需要数小时。另一个需要考虑的重要因素是必须有准确的统计意义,以适当控制已鉴定微生物和抗微生物蛋白中的错误发现比例,并提供可靠的生物量估算。最近,我们开发了微生物分类和鉴定(MiCId)工作流程,该流程可为已鉴定的微生物、抗微生物蛋白和生物量估算赋予准确的统计意义。MiCId 工作流程的计算效率也很高,使用大多数笔记本电脑和台式电脑上的计算机资源处理串联质谱(MS/MS)实验大约需要 6-17 分钟,是一种便携式工作流程。为了让熟悉 Linux 环境的用户以外的更多用户也能使用数据分析,我们为 MiCId 的工作流程开发了图形用户界面(GUI)。图形用户界面以友好的界面为用户提供了 MiCId 工作流程的所有功能,以及数据分析、可视化和输出结果的工具。
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来源期刊
Journal of Computational Biology
Journal of Computational Biology 生物-计算机:跨学科应用
CiteScore
3.60
自引率
5.90%
发文量
113
审稿时长
6-12 weeks
期刊介绍: Journal of Computational Biology is the leading peer-reviewed journal in computational biology and bioinformatics, publishing in-depth statistical, mathematical, and computational analysis of methods, as well as their practical impact. Available only online, this is an essential journal for scientists and students who want to keep abreast of developments in bioinformatics. Journal of Computational Biology coverage includes: -Genomics -Mathematical modeling and simulation -Distributed and parallel biological computing -Designing biological databases -Pattern matching and pattern detection -Linking disparate databases and data -New tools for computational biology -Relational and object-oriented database technology for bioinformatics -Biological expert system design and use -Reasoning by analogy, hypothesis formation, and testing by machine -Management of biological databases
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