getdescnames: Get Descriptor Class Names

Description Usage Arguments Value Author(s) See Also

Description

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.

Usage

1

Arguments

type

Indicates which subset of molecular descriptors should be considered

Value

A character vector of descriptor class names

Author(s)

Rajarshi Guha ([email protected])

See Also

eval.desc, get.desc.categories


rcdk documentation built on Sept. 26, 2018, 9:05 a.m.