ArticleScientific reports2015
Identification of Reliable Components in Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS): a Data-Driven Approach across Metabolic Processes.
Article in Scientific reports, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers, 1 of them a synthesis that pooled it.
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Who cites it
17 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Meta-Analysis of Fecal Microbiota and Metabolites in Experimental Colitic Mice during the Inflammatory and Healing Phases.Nutrients · 2017Pooled it
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- Patients with periodontitis exhibit persistent dysbiosis of the gut microbiota and distinct serum metabolome.Journal of oral microbiology · 2025Article
- Laser-Based Mid-Infrared Spectroscopy for Monitoring Temperature-Induced Denaturation of Bovine Serum Albumin and De-/Stabilization Effects of Sugars.Analytical chemistry · 2023Article
- Integrated Multi-Omics Analysis Reveals Differential Effects of Fructo-Oligosaccharides (FOS) Supplementation on the Human Gut Ecosystem.International journal of molecular sciences · 2022Article
- Oral Pathobiont-Induced Changes in Gut Microbiota Aggravate the Pathology of Nonalcoholic Fatty Liver Disease in Mice.Frontiers in immunology · 2021Article
- Autonomous adaptive data acquisition for scanning hyperspectral imaging.Communications biology · 2020Article
- Deep phenotyping of myalgic encephalomyelitis/chronic fatigue syndrome in Japanese population.Scientific reports · 2020Article
- Large-Scale Evaluation of Major Soluble Macromolecular Components of Fish Muscle from a ConventionalMolecules (Basel, Switzerland) · 2020Article
- Machine Learning based Analytical Framework for Automatic Hyperspectral Raman Analysis of Lithium-ion Battery Electrodes.Scientific reports · 2019Article
- Imaging of dehydration in particulate matter using Raman line-focus microscopy.Scientific reports · 2019Article
- Oral Administration of Porphyromonas gingivalis Alters the Gut Microbiome and Serum Metabolome.mSphere · 2018Article
- Intestinal microbiota composition is altered according to nutritional biorhythms in the leopard coral grouper (Plectropomus leopardus).PloS one · 2018Article
- Trans-omics approaches used to characterise fish nutritional biorhythms in leopard coral grouper (Plectropomus leopardus).Scientific reports · 2017Article
- Recent Advances in NMR-Based Metabolomics.Analytical chemistry · 2017Review
- Nuclear magnetic resonance spectroscopy as a new approach for improvement of early diagnosis and risk stratification of prostate cancer.Journal of Zhejiang University. Science. BReview
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
There is an increasing need to use multivariate statistical methods for understanding biological functions, identifying the mechanisms of diseases, and exploring biomarkers. In addition to classical analyses such as hierarchical cluster analysis, principal component analysis, and partial least squares discriminant analysis, various multivariate strategies, including independent component analysis, non-negative matrix factorization, and multivariate curve resolution, have recently been proposed. However, determining the number of components is problematic. Despite the proposal of several different methods, no satisfactory approach has yet been reported. To resolve this problem, we implemented a new idea: classifying a component as "reliable" or "unreliable" based on the reproducibility of its appearance, regardless of the number of components in the calculation. Using the clustering method for classification, we applied this idea to multivariate curve resolution-alternating least squares (MCR-ALS). Comparisons between conventional and modified methods applied to proton nuclear magnetic resonance ((1)H-NMR) spectral datasets derived from known standard mixtures and biological mixtures (urine and feces of mice) revealed that more plausible results are obtained by the modified method. In particular, clusters containing little information were detected with reliability. This strategy, named "cluster-aided MCR-ALS," will facilitate the attainment of more reliable results in the metabolomics datasets.
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