相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Scaling in ANOVA-simultaneous component analysis
Marieke E. Timmerman et al.
METABOLOMICS (2015)
Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review
Abdul-Hamid Emwas et al.
METABOLOMICS (2015)
Improving clustering with metabolic pathway data
Diego H. Milone et al.
BMC BIOINFORMATICS (2014)
Metabolomics in cancer biomarker discovery: Current trends and future perspectives
Emily G. Armitage et al.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2014)
Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics
Helen G. Gika et al.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2014)
Patterns of circulating inflammatory biomarkers in older persons with varying levels of physical performance: a partial least squares-discriminant analysis approach
Emanuele Marzetti et al.
FRONTIERS IN MEDICINE (2014)
A semiparametric approach to estimate rapid lung function decline in cystic fibrosis
Rhonda D. Szczesniak et al.
ANNALS OF EPIDEMIOLOGY (2013)
Pathview: an R/Bioconductor package for pathway-based data integration and visualization
Weijun Luo et al.
BIOINFORMATICS (2013)
Hierarchical clustering analysis of blood plasma lipidomics profiles from mono- and dizygotic twin families
Harmen H. M. Draisma et al.
EUROPEAN JOURNAL OF HUMAN GENETICS (2013)
Comparing methods for metabolic network analysis and an application to metabolic engineering
Namrata Tomar et al.
GENE (2013)
Current metabolomics: Practical applications
Sastia P. Putri et al.
JOURNAL OF BIOSCIENCE AND BIOENGINEERING (2013)
A practical guide to metabolomic profiling as a discovery tool for human heart disease
Lisa C. Heather et al.
JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY (2013)
Translational biomarker discovery in clinical metabolomics: an introductory tutorial
Jianguo Xia et al.
METABOLOMICS (2013)
HMDB 3.0-The Human Metabolome Database in 2013
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2013)
Subspace K-means clustering
Marieke E. Timmerman et al.
BEHAVIOR RESEARCH METHODS (2013)
Liquid chromatography-mass spectrometry based global metabolite profiling: A review
Georgios A. Theodoridis et al.
ANALYTICA CHIMICA ACTA (2012)
NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review
Agnieszka Smolinska et al.
ANALYTICA CHIMICA ACTA (2012)
Microbial Strain Prioritization Using Metabolomics Tools for the Discovery of Natural Products
Yanpeng Hou et al.
ANALYTICAL CHEMISTRY (2012)
Characterizing maternal glycemic control: a more informative approach using semiparametric regression
Rhonda VanDyke et al.
JOURNAL OF MATERNAL-FETAL & NEONATAL MEDICINE (2012)
Prediction of Skeletal Muscle and Fat Mass in Patients with Advanced Cancer Using a Metabolomic Approach
Cynthia Stretch et al.
JOURNAL OF NUTRITION (2012)
Novel biomarkers for pre-diabetes identified by metabolomics
Rui Wang-Sattler et al.
MOLECULAR SYSTEMS BIOLOGY (2012)
Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies
Ewa Szymanska et al.
METABOLOMICS (2012)
MetaboAnalyst 2.0-a comprehensive server for metabolomic data analysis
Jianguo Xia et al.
NUCLEIC ACIDS RESEARCH (2012)
The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans
Warwick B. Dunn et al.
BIOANALYSIS (2012)
Ten Years of Pathway Analysis: Current Approaches and Outstanding Challenges
Purvesh Khatri et al.
PLOS COMPUTATIONAL BIOLOGY (2012)
Dietary intake patterns are reflected in metabolomic profiles: potential role in dietary assessment studies
Aifric O'Sullivan et al.
AMERICAN JOURNAL OF CLINICAL NUTRITION (2011)
A statistical framework for biomarker discovery in metabolomic time course data
Maurice Berk et al.
BIOINFORMATICS (2011)
1H nuclear magnetic resonance based metabolic urinary profiling of patients with ischemic heart failure
Seok-Min Kang et al.
CLINICAL BIOCHEMISTRY (2011)
Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
Warwick B. Dunn et al.
NATURE PROTOCOLS (2011)
Bioinformatics tools for cancer metabolomics
Grigoriy Blekherman et al.
METABOLOMICS (2011)
Metabolic profiling strategy for discovery of nutritional biomarkers: proline betaine as a marker of citrus consumption
Silke S. Heinzmann et al.
AMERICAN JOURNAL OF CLINICAL NUTRITION (2010)
Support Vector Machines for classification and regression
Richard G. Brereton et al.
ANALYST (2010)
1H NMR-based metabolomics approach for exploring urinary metabolome modifications after acute and chronic physical exercise
C. Enea et al.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2010)
Targeted Metabolomics for Biomarker Discovery
William J. Griffiths et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Factorial and reduced K-means reconsidered
Marieke E. Timmerman et al.
COMPUTATIONAL STATISTICS & DATA ANALYSIS (2010)
Metabolomic Profiling Reveals Biochemical Pathways and Biomarkers Associated with Pathogenesis in Cystic Fibrosis Cells
Diana R. Wetmore et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2010)
The gut microbiota modulates host energy and lipid metabolism in mice
Vidya R. Velagapudi et al.
JOURNAL OF LIPID RESEARCH (2010)
icoshift: A versatile tool for the rapid alignment of 1D NMR spectra
F. Savorani et al.
JOURNAL OF MAGNETIC RESONANCE (2010)
MassBank: a public repository for sharing mass spectral data for life sciences
Hisayuki Horai et al.
JOURNAL OF MASS SPECTROMETRY (2010)
Sparse partial least squares regression for simultaneous dimension reduction and variable selection
Hyonho Chun et al.
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY (2010)
Dynamic metabolomic data analysis: a tutorial review
A. K. Smilde et al.
METABOLOMICS (2010)
Data clustering: 50 years beyond K-means
Anil K. Jain
PATTERN RECOGNITION LETTERS (2010)
Sparse Partial Least Squares Classification for High Dimensional Data
Dongjun Chung et al.
STATISTICAL APPLICATIONS IN GENETICS AND MOLECULAR BIOLOGY (2010)
Partial least squares regression and projection on latent structure regression (PLS Regression)
Herve Abdi
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL STATISTICS (2010)
Application of Fuzzy c-Means Clustering in Data Analysis of Metabolomics
Xiang Li et al.
ANALYTICAL CHEMISTRY (2009)
KEGGgraph: a graph approach to KEGG PATHWAY in R and bioconductor
Jitao David Zhang et al.
BIOINFORMATICS (2009)
Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis
Chao Yang et al.
BMC BIOINFORMATICS (2009)
Ovarian cancer detection from metabolomic liquid chromatography/mass spectrometry data by support vector machines
Wei Guan et al.
BMC BIOINFORMATICS (2009)
Prediction of breast cancer by profiling of urinary RNA metabolites using Support Vector Machine-based feature selection
Carsten Henneges et al.
BMC CANCER (2009)
Flux balance analysis of biological systems: applications and challenges
Karthik Raman et al.
BRIEFINGS IN BIOINFORMATICS (2009)
Support vector machines and its applications in chemistry
Hongdong Li et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2009)
Metabolomics: A Global Biochemical Approach to the Study of Central Nervous System Diseases
Rima Kaddurah-Daouk et al.
NEUROPSYCHOPHARMACOLOGY (2009)
Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research
Augustin Scalbert et al.
METABOLOMICS (2009)
MetaboAnalyst: a web server for metabolomic data analysis and interpretation
Jianguo Xia et al.
NUCLEIC ACIDS RESEARCH (2009)
Survey of the Quality of Experimental Design, Statistical Analysis and Reporting of Research Using Animals
Carol Kilkenny et al.
PLOS ONE (2009)
Correlative and quantitative H-1 NMR-based metabolomics reveals specific metabolic pathway disturbances in diabetic rats
Shucha Zhang et al.
ANALYTICAL BIOCHEMISTRY (2008)
Analysis of metabolomic data using support vector machines
Sankar Mahadevan et al.
ANALYTICAL CHEMISTRY (2008)
Baseline correction for NMR spectroscopic metabolomics data analysis
Yuanxin Xi et al.
BMC BIOINFORMATICS (2008)
Metabolite identification via the Madison Metabolomics Consortium Database
Qiu Cui et al.
NATURE BIOTECHNOLOGY (2008)
Gaussian binning: a new kernel-based method for processing NMR spectroscopic data for metabolomics
Paul E. Anderson et al.
METABOLOMICS (2008)
Evidence of different metabolic phenotypes in humans
Michael Assfalg et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Selection of variables in cluster analysis: An empirical comparison of eight procedures
Douglas Steinley et al.
PSYCHOMETRIKA (2008)
Determining the number of clusters using the weighted gap statistic
Mingjin Yan et al.
BIOMETRICS (2007)
Investigations of the effects of gender, diurnal variation, and age in human urinary metabolomic profiles
Carolyn M. Slupsky et al.
ANALYTICAL CHEMISTRY (2007)
Current Progress in computational metabolomics
David S. Wishart
BRIEFINGS IN BIOINFORMATICS (2007)
Computational approaches to the topology, stability and dynamics of metabolic networks
Ralf Steuer
PHYTOCHEMISTRY (2007)
Discovering gene expression patterns in time course microarray experiments by ANOVA-SCA
Maria Jose Nueda et al.
BIOINFORMATICS (2007)
LIPID MAPS online tools for lipid research
Eoin Fahy et al.
NUCLEIC ACIDS RESEARCH (2007)
Human urine as test material in 1H NMR-based metabonomics:: Recommendations for sample preparation and storage
Michael Lauridsen et al.
ANALYTICAL CHEMISTRY (2007)
Adaptive binning: An improved binning method for metabolomics data using the undecimated wavelet transform
Richard A. Davis et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2007)
Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox
Scott A. Becker et al.
NATURE PROTOCOLS (2007)
Mass spectrometry-based metabolomics
Katja Dettmer et al.
MASS SPECTROMETRY REVIEWS (2007)
Statistical strategies for avoiding false discoveries in metabolomics and related experiments
David I. Broadhurst et al.
METABOLOMICS (2006)
OPLS discriminant analysis:: combining the strengths of PLS-DA and SIMCA classification
Max Bylesjo et al.
JOURNAL OF CHEMOMETRICS (2006)
Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures.: Application in 1H NMR metabonomics
Frank Dieterle et al.
ANALYTICAL CHEMISTRY (2006)
Centering, scaling, and transformations: improving the biological information content of metabolomics data
Robert A. van den Berg et al.
BMC GENOMICS (2006)
Scaling and normalization effects in NMR spectroscopic metabonomic data sets
A Craig et al.
ANALYTICAL CHEMISTRY (2006)
Metabolic profiling using principal component analysis, discriminant partial least squares, and genetic algorithms
Z Ramadan et al.
TALANTA (2006)
METLIN - A metabolite mass spectral database
CA Smith et al.
THERAPEUTIC DRUG MONITORING (2005)
Improved peak detection and quantification of mass spectrometry data acquired from surface-enhanced laser desorption and ionization by denoising spectra with the undecimated discrete wavelet transform
KR Coombes et al.
PROTEOMICS (2005)
ANOVA-simultaneous component analysis (ASCA): a new tool for analyzing designed metabolomics data
AK Smilde et al.
BIOINFORMATICS (2005)
Metabolic footprinting and systems biology: The medium is the message
DB Kell et al.
NATURE REVIEWS MICROBIOLOGY (2005)
Statistical design of experiments as a tool in mass spectrometry
LS Riter et al.
JOURNAL OF MASS SPECTROMETRY (2005)
Automated variable weighting in k-means type clustering
JZX Huang et al.
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE (2005)
Measuring the metabolome: current analytical technologies
WB Dunn et al.
ANALYST (2005)
Analysis of longitudinal metabolomics data
JJ Jansen et al.
BIOINFORMATICS (2004)
Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data
G Tomasi et al.
JOURNAL OF CHEMOMETRICS (2004)
Bioconductor: open software development for computational biology and bioinformatics
RC Gentleman et al.
GENOME BIOLOGY (2004)
Visualizing metabolic changes in breast-cancer tissue using 1H-NMR spectroscopy and self-organizing maps
O Beckonert et al.
NMR IN BIOMEDICINE (2003)
A functional genomics approach using metabolomics and in silico pathway analysis
J Förster et al.
BIOTECHNOLOGY AND BIOENGINEERING (2002)
Modeling and simulation: tools for metabolic engineering
W Wiechert
JOURNAL OF BIOTECHNOLOGY (2002)
Functional genomics: lessons from yeast
SG Oliver
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2002)
Tumor classification by partial least squares using microarray gene expression data
DV Nguyen et al.
BIOINFORMATICS (2002)
Orthogonal projections to latent structures (O-PLS)
J Trygg et al.
JOURNAL OF CHEMOMETRICS (2002)
PLS-regression:: a basic tool of chemometrics
S Wold et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2001)
Factorial k-means analysis for two-way data
M Vichi et al.
COMPUTATIONAL STATISTICS & DATA ANALYSIS (2001)
Estimating the number of clusters in a data set via the gap statistic
R Tibshirani et al.
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY (2001)
分享论文
