A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models


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Documentation for package ‘chemmodlab’ version 1.1.0

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aid364 Cytotoxicity assay using the Jurkat human T-Cell line
ApplicabilityDomain Compute applicability domain for a chemmodlab model
chemmodlab Constructor for the chemmodlab object
CombineSplits ANOVA and multiple comparisons for chemmodlab objects
MakeModelDefaults Model parameters for ModelTrain
ModelTrain Fit predictive models to sets of descriptors.
ModelTrain.character Fit predictive models to sets of descriptors.
ModelTrain.data.frame Fit predictive models to sets of descriptors.
ModelTrain.default Fit predictive models to sets of descriptors.
Performance ANOVA and multiple comparisons for chemmodlab objects
plot.chemmodlab Plot method for the chemmodlab class.