get.desc.names

Indicates which subset of molecular descriptors
  should be considered

type

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.<p></p><p>  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.</p>

programming

This package allows the user to access functionality in
        the CDK, a Java framework for cheminformatics. This allows the
        user to load molecules, evaluate fingerprints, calculate
        molecular descriptors and so on.  In addition the CDK API
        allows the user to view structures in 2D.

get.desc.names: Get Descriptor Class Names

Description

Usage

Arguments

Value

See Also