The CDK implements a number of descriptors divided into three main groups - atomic, molecular and bond. Currently the package will only evaluate molecular descriptors. This function returns the class names of the available descriptors, which can then be used to calculate descriptors for a specific molecule.
By default all available descriptor class names are returned. However it is possible to specify that a subset of the descriptors should be considered. The subset is specified by keyword and can be one of: topological, geometrical,hybrid, constitutional, protein, electronic.
Indicates which subset of molecular descriptors should be considered
A character vector of descriptor class names
Rajarshi Guha ([email protected])
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