Integrating metabolomic data from multiple analytical platforms for a comprehensive characterisation of lemon essential oils

A consensus orthogonal partial least squares discriminant analysis (OPLS-DA) strategy for multiblock Omics data fusion

(2013) Julien Boccard et al.   ANALYTICA CHIMICA ACTA

Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection

(2013) Yun Xu et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Differentiation of lemon essential oil based on volatile and non-volatile fractions with various analytical techniques: a metabolomic approach

(2013) Florence Mehl et al.   FOOD CHEMISTRY

Comprehensive profiling and marker identification in non-volatile citrus oil residues by mass spectrometry and nuclear magnetic resonance

(2013) Guillaume Marti et al.   FOOD CHEMISTRY

Harnessing the complexity of metabolomic data with chemometrics

(2013) Julien Boccard et al.   JOURNAL OF CHEMOMETRICS

Quantitative structure–activity relationship of organophosphate compounds based on molecular interaction fields descriptors

(2012) Jinsong Zhao et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY

Effect of ammonium nitrogen supplementation of grape juice on wine volatiles and non-volatiles composition of the aromatic grape variety Albariño

(2012) Mar Vilanova et al.   FOOD CHEMISTRY

A multiblock PLS model of cortico-cortical and corticomuscular interactions in Parkinson's disease

(2012) Joyce Chiang et al.   NEUROIMAGE

A taste of sweet pepper: Volatile and non-volatile chemical composition of fresh sweet pepper (Capsicum annuum) in relation to sensory evaluation of taste

(2011) P.M. Eggink et al.   FOOD CHEMISTRY

Multiblock redundancy analysis: interpretation tools and application in epidemiology

(2011) Stéphanie Bougeard et al.   JOURNAL OF CHEMOMETRICS

Comparison of different chemometric and analytical methods for the prediction of particle size distribution in pharmaceutical powders

(2010) Mafalda C. Sarraguça et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Sicilian lemon oil: Composition of volatile and oxygen heterocyclic fractions and enantiomeric distribution of volatile components

(2010) Paola Dugo et al.   JOURNAL OF SEPARATION SCIENCE

Proton transfer reaction time-of-flight mass spectrometry monitoring of the evolution of volatile compounds during lactic acid fermentation of milk

(2010) Christos Soukoulis et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Matrix correlations for high-dimensional data: the modified RV-coefficient

(2008) A. K. Smilde et al.   BIOINFORMATICS

K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space

(2008) Max Bylesjö et al.   BMC BIOINFORMATICS

Block-based approach to modelling of granulated fertilizers' quality

(2008) Jarno Kohonen et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS