In order to choose correctly the dimension of calibration model in chemistry, a new simple and
effective method named Monte Carlo cross validation (MCCV) is introduced in the present …

Different chromatographic and electrophoretic techniques commonly used in the instrumental
inspection of herbal medicines (HM) are first comprehensively reviewed. Chemical …

Baseline drift always blurs or even swamps signals and deteriorates analytical results,
particularly in multivariate analysis. It is necessary to correct baseline drift to perform further data …

Sequence-derived structural and physiochemical features have been frequently used for
analysing and predicting structural, functional, expression and interaction profiles of proteins …

Traditional Chinese Herbal Medicine (TCHM) contain multiple botanicals, each of which
contains many compounds that may be relevant to the medicine's putative activity. Therefore, …

Heuristic evolving latent projections (HELP) are proposed as a new method to resolve two-way
bilinear multicomponent data Into spectra and chromatograms of the pure constituents. …

The identification of disease-relevant genes represents a challenge in microarray-based
disease diagnosis where the sample size is often limited. Among established methods, …

Nowadays, with a high dimensionality of dataset, it faces a great challenge in the creation of
effective methods which can select an optimal variables subset. In this study, a strategy that …

The crucial step of building a high performance QSAR/QSPR model is the detection of outliers
in the model. Detecting outliers in a multivariate point cloud is not trivial, especially when …

Fluorescent background is a major problem in recoding the Raman spectra of many samples,
which swamps or obscures the Raman signals. The background should be suppressed in …