PHAKISO Manual

Dataset
-	Loading and saving datasets.
-	Measure diversity of a dataset.
-	Identify compound clusters in a dataset.
-	Remove compounds with identical descriptor values.
-	Remove outlier compounds in a dataset.
-	Statistical molecular design.
-	Display statistics of a dataset.
-	Randomize the y values of a dataset.

Descriptors
-	Manually include/exclude descriptors in a dataset.
-	Show intercorrelations between descriptors.
-	Identify descriptor groups in a dataset.
-	Display statistics of a descriptor.
-	Measure similarity between datasets.
-	Fill in missing values for descriptors.
-	Perform principal component analysis.
-	Scale descriptor values.
-	Descriptor selection using filter methods.
-	Descriptor selection using wrapper methods.

QSPkR
-	Construct a QSPkR model.
-	Optimize the parameters of a machine learning method.
-	Measure the prediction performance of a QSPkR model.
-	Validate a QSPkR model.
-	Loading and saving QSPkR models.

Miscellaneous
-	General program options.
-	Copying among dataset, training set and testing set.
-	Measure the distance between two compounds.