MassCube improves accuracy for metabolomics data processing from raw files to phenotype classifiers
Abstract Nontargeted peak detection in LC-MS-based metabolomics must become robust and benchmarked. We present MassCube, a Python-based open-source framework for MS data processing that we systematically benchmark against other algorithms and different types of input data. From raw data, peaks are d...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-60640-5 |
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