A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models

Documentation for package ‘chemmodlab’ version 1.1.0

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.