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Review
. 2022 Oct 21;12(10):1002.
doi: 10.3390/metabo12101002.

Survey for Computer-Aided Tools and Databases in Metabolomics

Bayan Hassan Banimfreg  1 , Abdulrahim Shamayleh  1 , Hussam Alshraideh  1
Affiliations
Review

Survey for Computer-Aided Tools and Databases in Metabolomics

Bayan Hassan Banimfreg et al. Metabolites. .

Abstract

Metabolomics has advanced from innovation and functional genomics tools and is currently a basis in the big data-led precision medicine era. Metabolomics is promising in the pharmaceutical field and clinical research. However, due to the complexity and high throughput data generated from such experiments, data mining and analysis are significant challenges for researchers in the field. Therefore, several efforts were made to develop a complete workflow that helps researchers analyze data. This paper introduces a review of the state-of-the-art computer-aided tools and databases in metabolomics established in recent years. The paper provides computational tools and resources based on functionality and accessibility and provides hyperlinks to web pages to download or use. This review aims to present the latest computer-aided tools, databases, and resources to the metabolomics community in one place.

Keywords: computer; databases; metabolite; metabolomics; omics; pathway analysis; tools.

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Conflict of interest statement

The authors declare no conflict of interest. The funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the results.

Figures

Figure 1
Figure 1
The metabolomics experiment. The flowchart comprises sample acquisitions, instrumental and spectral analysis, identifications of metabolites, and statistical and pathway analysis for further interpretation.
Figure 2
Figure 2
Workflow of Big data Analytics, adapted from [10]. Descriptive analytics defines what occurred. Diagnostics analytics replies why it occurred. Predictive analytics provides what will occur. Finally, prescriptive analytics proposes actions to influence desired results (make it occur).
Figure 3
Figure 3
Metabolomics databases multifunctional tasks.
Figure 4
Figure 4
Overview of the data analysis workflow.
See this image and copyright information in PMC

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