Protomix: a Python package for 1H-NMR metabolomics data preprocessing
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| Veröffentlicht in: | Bioinformatics Advances vol. 5, no. 1 (2025) |
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Oxford University Press
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| Abstract: | 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. |
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| ISSN: | 2635-0041 |
| DOI: | 10.1093/bioadv/vbae192 |
| Quelle: | Biological Science Database |