Protomix: a Python package for 1H-NMR metabolomics data preprocessing

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Veröffentlicht in:Bioinformatics Advances vol. 5, no. 1 (2025)
1. Verfasser: Zniber, Mohammed
Weitere Verfasser: Youssef Fatihi, Tan-Phat Huynh
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Oxford University Press
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LEADER 00000nab a2200000uu 4500
001 3191362943
003 UK-CbPIL
022 |a 2635-0041 
024 7 |a 10.1093/bioadv/vbae192  |2 doi 
035 |a 3191362943 
045 2 |b d20250101  |b d20251231 
100 1 |a Zniber, Mohammed  |u Laboratory of Molecular Science and Engineering, Åbo Akademi University , Henrikinkatu 2, Turku 20500, Finland 
245 1 |a Protomix: a Python package for <sup>1</sup>H-NMR metabolomics data preprocessing 
260 |b Oxford University Press  |c 2025 
513 |a Report 
520 3 |a Motivation NMR-based metabolomics is a field driven by technological advancements, necessitating the use of advanced preprocessing tools. Despite this need, there is a remarkable scarcity of comprehensive and user-friendly preprocessing tools in Python. To bridge this gap, we have developed Protomix—a Python package designed for metabolomics research. Protomix offers a set of automated, efficient, and user-friendly signal-preprocessing steps, tailored to streamline and enhance the preprocessing phase in metabolomics studies. Results This package presents a comprehensive preprocessing pipeline compatible with various data analysis tools. It encompasses a suite of functionalities for data extraction, preprocessing, and interactive visualization. Additionally, it includes a tutorial in the form of a Python Jupyter notebook, specifically designed for the analysis of 1D 1H-NMR metabolomics data related to prostate cancer and benign prostatic hyperplasia. Availability and implementation Protomix can be accessed at https://github.com/mzniber/protomix and https://protomix.readthedocs.io/en/latest/index.html. 
653 |a Data processing 
653 |a Metabolomics 
653 |a Hyperplasia 
653 |a Prostate cancer 
653 |a Nuclear magnetic resonance--NMR 
700 1 |a Youssef Fatihi  |u Department of Computer Science, Ibn Tofail University , Kenitra 14000, Morocco 
700 1 |a Tan-Phat Huynh  |u Laboratory of Molecular Science and Engineering, Åbo Akademi University , Henrikinkatu 2, Turku 20500, Finland 
773 0 |t Bioinformatics Advances  |g vol. 5, no. 1 (2025) 
786 0 |d ProQuest  |t Biological Science Database 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3191362943/abstract/embedded/L8HZQI7Z43R0LA5T?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3191362943/fulltextPDF/embedded/L8HZQI7Z43R0LA5T?source=fedsrch