In Press & Recent Publications
Metabolic fate of polyphenols in the human superorganism
Dynamic metabolomic data analysis: a tutorial review
Multivariate paired data analysis: multilevel PLSDA versus OPLSDA
Time Alignment Algorithms Based on Selected Mass Traces for Complex LC-MS Data
Computational modeling of the human serum proteome response to colon resection surgery
Optimal Measurement Design for Monitoring Batch Processes
Endocrine pulse identification using penalized methods and a minimum set of assumptions
The Photographer and the Greenhouse: How to Analyse Plant Metabolomics Data
Crossfit analysis: a novel method to characterize the dynamics of induced plant responses
Exploring the analysis of structured metabolomics data
Multi-way analysis of flux
distributions across multiple conditions
Metabolic network discovery through
reverse engineering of metabolome data
Multilevel Data Analysis of a Crossover Designed Human
Nutritional Intervention Study The geomentry of ASCA Discriminant Q2 (DQ2 )
for improved discrimination in PLSDA models Organization and integration of
biomedical knowledge with concept maps for key peroxisomal pathways A Classification Model for the Leiden Proteomics Competition Assessment of PLSDA cross validation Variable Selection Methods as a Tool To
Find Sensor Locations for Distributed Parameter Systems
Mechanistic insights on Sonogashira
cross-coupling via high-throughput kinetics and descriptor modelling
PARAFASCA: ASCA combined with PARAFAC for
the analysis of metabolic fingerprinting data Optimal sensor location and the relation between derivatives and PCA Statistical validation
of megavariate effects in ASCA Grey component analysis for
decomposing complex data using prior information Understanding Ligand Diversity How to distinguish
healthy from diseased? Classification strategy for mass spectrometry-based clinical proteomics Discovering gene
expression patterns in time course microarray experiments by ANOVA-SCA Applications of a new
subspace clustering algorithm (COSA) in medical systems biology Conditional
Monte Carlo sampling to find branching architectures of polymers from radical polymerizations
with transfer to polymer and recombination termination Assessing the statistical
validity of proteomics based biomarkers Download files
used in this article. (zip - 5.5 KB) Download data used in this article. (zip - 179.1 KB)
Examples of NIR based
real time release in tablet manufacturing Maximum likelihood scaling (MALS) Download files used
in this article. (zip - 2.8 KB)Linking PCA and time derivatives
of dynamic systems Modelling multi-viscosity
systems with dissipative particle dynamics Conditional Monte Carlo sampling
to find branching architectures of polymers from radical polymerizations with transfer to polymer Bagged K-means clustering
of metabolome data Centering, scaling, and
transformations: improving the biological information content of metabolomics data Performance
assesment and improvement of control charts for statistical batch process monitoring Large-Scale Human Metabolomics
Studies: A Strategy for Data (Pre-) Processing and Validation How to find the best homogeneous catalyst Single Channel
Event (SCE) for managing sensor failures in MSPC Design and Assembly of
Virtual Homogeneous Catalyst Libraries — Towards in silico Catalyst Optimisation
