get.desc.values

A Java object obtained by a call to the <code>calculate</code> method
  of a CDK <code>Descriptor</code> class

dval

The result of a call to a CDK Descriptor class is a <code>DescriptorValue</code>
  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

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. The package
 can also use JChemPaint, to draw 2D structure and use them within R and Jmol to
 view structures in 3D

get.desc.values: Extract Descriptor Values

Description

Usage

Arguments

Value