The CDK implements a number of descriptors divided into three main
groups - atomic, molecular and bond. This method evaluates the
specified molecular descriptor for a molecule
Usage
eval.desc(molecule, which.desc)
Arguments
molecule
A reference to a CDK IAtomContainer object
which.desc
The fully qualified class name of the descriptor to evaluate
Value
Depending on the nature of the descriptor, a single numeric value or
else a numeric vector