get.atomic.desc.names {rcdk} | R Documentation |
The CDK implements a number of descriptors divided into three main groups - atomic, molecular and bond. This method returns the names of the available atomic descriptors.
get.atomic.desc.names(type = "all")
type |
A string which can be one of "all", "topological", "geometrical" "hybrid", "constitutional", "electronic", allowing you to choose atomic descriptors of specific categories. The keyword "all" will return all available descriptors |
A vector of fully qualified descriptor names.
Rajarshi Guha (rguha@indiana.edu)
eval.atomic.desc
get.desc.names
eval.desc