Chemometric approaches to improve PLSDA model outcome for predicting human non-alcoholic fatty liver disease using UPLC-MS as a metabolic profiling tool

Chemometrics

(2010) Barry Lavine et al.   ANALYTICAL CHEMISTRY

Principles of Proper Validation: use and abuse of re-sampling for validation

(2010) Kim H. Esbensen et al.   JOURNAL OF CHEMOMETRICS

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Noninvasive Urinary Metabonomic Diagnosis of Human Bladder Cancer

(2010) Kishore Kumar Pasikanti et al.   JOURNAL OF PROTEOME RESEARCH

Metabolomic Assessment of the Effect of Dietary Cholesterol in the Progressive Development of Fatty Liver Disease

(2010) Maria Vinaixa et al.   JOURNAL OF PROTEOME RESEARCH

Liquid Chromatography−Mass Spectrometry-Based Parallel Metabolic Profiling of Human and Mouse Model Serum Reveals Putative Biomarkers Associated with the Progression of Nonalcoholic Fatty Liver Disease

(2010) Jonathan Barr et al.   JOURNAL OF PROTEOME RESEARCH

Global metabolic profiling procedures for urine using UPLC–MS

(2010) Elizabeth J Want et al.   Nature Protocols

Exploring Mass Spectrometry Suitability to Examine Human Liver Graft Metabonomic Profiles

(2010) M. Cortés et al.   TRANSPLANTATION PROCEEDINGS

Parameter selection for peak alignment in chromatographic sample profiling: objective quality indicators and use of control samples

(2009) Sonja Peters et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Variable Selection Using Iterative Reformulation of Training Set Models for Discrimination of Samples: Application to Gas Chromatography/Mass Spectrometry of Mouse Urinary Metabolites

(2009) Kanet Wongravee et al.   ANALYTICAL CHEMISTRY

Development of a Robust and Repeatable UPLC−MS Method for the Long-Term Metabolomic Study of Human Serum

(2009) Eva Zelena et al.   ANALYTICAL CHEMISTRY

Recent advances in nonalcoholic fatty liver disease

(2009) Onpan Cheung et al.   CURRENT OPINION IN GASTROENTEROLOGY

The plasma lipidomic signature of nonalcoholic steatohepatitis

(2009) Puneet Puri et al.   HEPATOLOGY

Repeated double cross validation

(2009) Peter Filzmoser et al.   JOURNAL OF CHEMOMETRICS

Urinary metabolomics as a potentially novel diagnostic and stratification tool for knee osteoarthritis

(2009) Xin Li et al.   Metabolomics

Pathogenesis of non-alcoholic fatty liver disease

(2009) J. K. Dowman et al.   QJM-AN INTERNATIONAL JOURNAL OF MEDICINE

A Backward Variable Selection method for PLS regression (BVSPLS)

(2008) Juan Antonio Fernández Pierna et al.   ANALYTICA CHIMICA ACTA

Genetic algorithms for simultaneous variable and sample selection in metabonomics

(2008) Rachel Cavill et al.   BIOINFORMATICS

Bile Acids Metabonomic Study on the CCl4- and α-Naphthylisothiocyanate-Induced Animal Models: Quantitative Analysis of 22 Bile Acids by Ultraperformance Liquid Chromatography−Mass Spectrometry

(2008) Li Yang et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

(2008) Lennart Eriksson et al.   JOURNAL OF CHEMOMETRICS

Discriminant Q2 (DQ2) for improved discrimination in PLSDA models

(2008) Johan A. Westerhuis et al.   Metabolomics

Assessment of PLSDA cross validation

(2008) Johan A. Westerhuis et al.   Metabolomics

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH

High-throughput tissue extraction protocol for NMR- and MS-based metabolomics

(2007) Huifeng Wu et al.   ANALYTICAL BIOCHEMISTRY