PLS/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters

MVAPACK: A Complete Data Handling Package for NMR Metabolomics

(2014) Bradley Worley et al.   ACS Chemical Biology

Trials and tribulations of ‘omics data analysis: assessing quality of SIMCA-based multivariate models using examples from pulmonary medicine

(2013) Åsa M. Wheelock et al.   Molecular BioSystems

Application of 1H NMR metabonomics in predicting renal function recoverability after the relief of obstructive uropathy in adult patients

(2012) Baijun Dong et al.   CLINICAL BIOCHEMISTRY

Identification of Serum Proton NMR Metabolomic Fingerprints Associated with Hepatocellular Carcinoma in Patients with Alcoholic Cirrhosis

(2012) P. Nahon et al.   CLINICAL CANCER RESEARCH

Metabolomic Analysis of Biochemical Changes in the Plasma and Urine of First-Episode Neuroleptic-Naïve Schizophrenia Patients after Treatment with Risperidone

(2012) Hua-Lin Cai et al.   JOURNAL OF PROTEOME RESEARCH

MetaboAnalyst 2.0--a comprehensive server for metabolomic data analysis

(2012) J. Xia et al.   NUCLEIC ACIDS RESEARCH

OPLS filtered data can be obtained directly from non-orthogonalized PLS1

(2009) E. K. Kemsley et al.   JOURNAL OF CHEMOMETRICS

Notes on the practical utility of OPLS

(2009) Henri S. Tapp et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

CV-ANOVA for significance testing of PLS and OPLS® models

(2008) Lennart Eriksson et al.   JOURNAL OF CHEMOMETRICS

Assessment of PLSDA cross validation

(2008) Johan A. Westerhuis et al.   Metabolomics