get.desc.values {rcdk} | R Documentation |
The result of a call to a CDK Descriptor class is a DescriptorValue
object which contains a variety of information. For modeling purposes
we are interested in extracting the numerical values, which may be a single
number of a vector of numbers. This function encapsulates the calls to the
CDK library to extract the numerical values
get.desc.values(dval)
dval |
A Java object obtained by a call to the calculate method
of a CDK Descriptor class |
A numeric
of one or more elements
Rajarshi Guha (rguha@indiana.edu)