PLS-DA for compositional data with application to metabolomics

Metabonomics of Newborn Screening Dried Blood Spot Samples: A Novel Approach in the Screening and Diagnostics of Inborn Errors of Metabolism

(2012) Júlia Dénes et al.   ANALYTICAL CHEMISTRY

Linear regression with compositional explanatory variables

(2012) K. Hron et al.   JOURNAL OF APPLIED STATISTICS

Statistical analysis of wines using a robust compositional biplot

(2012) K. Hron et al.   TALANTA

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

Targeted metabolomic analysis of plasma samples for the diagnosis of inherited metabolic disorders

(2011) Hana Janečková et al.   JOURNAL OF CHROMATOGRAPHY A

Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies

(2011) Ewa Szymańska et al.   Metabolomics

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

(2011) Warwick B Dunn et al.   Nature Protocols

Correction of mass calibration gaps in liquid chromatography–mass spectrometry metabolomics data

(2010) H. Paul Benton et al.   BIOINFORMATICS

Newborn screening for disorders of fatty-acid oxidation: experience and recommendations from an expert meeting

(2010) Martin Lindner et al.   JOURNAL OF INHERITED METABOLIC DISEASE

Partial Least Squares (PLS) methods for neuroimaging: A tutorial and review

(2010) Anjali Krishnan et al.   NEUROIMAGE

Discriminant partial least squares analysis on compositional data

(2010) Michele Gallo   STATISTICAL MODELLING

Validation of MCADD newborn screening

(2009) EM Maier et al.   CLINICAL GENETICS

Imputation of missing values for compositional data using classical and robust methods

(2009) K. Hron et al.   COMPUTATIONAL STATISTICS & DATA ANALYSIS

Principal component analysis for compositional data with outliers

(2009) Peter Filzmoser et al.   ENVIRONMETRICS

Reply to “On the Harker Variation Diagrams; …” by J.A. Cortés

(2009) Juan José Egozcue   Mathematical Geosciences

Coffee aroma—Statistical analysis of compositional data

(2009) M. Korhoňová et al.   TALANTA

Newborn screening for medium chain acyl CoA dehydrogenase deficiency

(2008) J V Leonard et al.   ARCHIVES OF DISEASE IN CHILDHOOD

Highly sensitive feature detection for high resolution LC/MS

(2008) Ralf Tautenhahn et al.   BMC BIOINFORMATICS

Metabolomic profiling to develop blood biomarkers for Parkinson's disease

(2008) M. Bogdanov et al.   BRAIN

Mitochondrial fatty acid oxidation defects—remaining challenges

(2008) Niels Gregersen et al.   JOURNAL OF INHERITED METABOLIC DISEASE

Mass spectrometry in newborn and metabolic screening: historical perspective and future directions

(2008) Donald H. Chace   JOURNAL OF MASS SPECTROMETRY

Profiling the metabolic proteome of bovine mammary tissue

(2008) Amanda J. Beddek et al.   PROTEOMICS