The CDK implements a number of descriptors divided into three main groups - atomic, molecular and bond. This method evaluates the specified atomic descriptor(s) for a molecule
eval.atomic.desc(molecule, which.desc, verbose=FALSE)A reference to a CDK IAtomContainer object
The fully qualified class name of the descriptor to evaluate or a vector such names
If TRUE, progress will be written to the screen, otherwise the function performs silently
A data.frame is returned.