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Inter-laboratory study of human in vitro toxicogenomics-based tests as alternative methods for evaluating chemical carcinogenicity: a bioinformatics perspective.
were initially challenged with thirty compounds, genome-wide gene expression was measured with microarrays, and hazard classifiers were built from this training set. Subsequently, each system was ...
Discriminating nicotine and non-nicotine containing e-liquids using infrared spectroscopy.
combined with the appropriate chemometric techniques. The presented techniques do not need sample preparation and result in models with a minimum of false negative samples. If a large enough training set can ...
The Monte Carlo validation framework for the discriminant partial least squares model extended with variable selection methods applied to authenticity studies of Viagra® based on chromatographic impurity profiles.
allows balanced sets of training samples to be designed, which is required at the stage of the construction of PLS- DA and is recommended in order to obtain fair estimates that are based on an independent ...