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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| 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 |