get.desc.classnames {rcdk} | R Documentation |
The CDK implements a number of descriptors divided into three main
groups - atomic, molecular and bond. This method uses a CDK Object of
class DescriptorEngine
to get the class names of all
descriptors of a specific type. The class names can then be used to
obtain descriptor values for a molecule.
get.desc.classnames(dengine)
dengine |
A reference to a CDK DescriptorEngine object |
A character vector of descriptor class names
Rajarshi Guha (rguha@indiana.edu)
get.desc.classnames
, eval.desc
, get.desc.values