Machine learning-assisted metabolomics analysis
Machine learning-assisted metabolomics analysis is an integrative bioinformatics pipeline that couples untargeted or targeted metabolite profiling — via mass spectrometry or NMR — with supervised and unsupervised ML algorithms to discover biomarkers, classify phenotypes, and model metabolic states. By handling the extreme dimensionality and collinearity inherent in metabolomics datasets (hundreds to thousands of features, tens to hundreds of samples), ML methods such as random forests, support vector machines, and neural networks extract biologically interpretable patterns that classical univariate statistics routinely miss.
Rekodi ya chanzo
Nukuu zimehamishwa kwa uhalisi kutoka kwa rekodi ya chanzo cha mbinu. Hakuna uthibitisho wa kiwango cha dai unaodokezwa kutoka kwao.
- Liebal, U. W., Phan, A. N. T., Sudhakar, M., Raman, K., & Blank, L. M. (2020). Machine learning applications for mass spectrometry-based metabolomics. Metabolites, 10(6), 243. · DOI 10.3390/metabo10060243
- Bylesjö, M., Rantalainen, M., Cloarec, O., Nicholson, J. K., Holmes, E., & Trygg, J. (2006). OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification. Journal of Chemometrics, 20(8-10), 341-351. · URL
Madai yaliyotunzwa
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Mbinu zinazohusiana
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