db.explain {ChemmineR} | R Documentation |
'db.explain' will take an atom-pair descriptor in numeric or a set of such descriptors, and interpret what they represent in a more human readable way.
db.explain(desc)
desc |
The descriptor or the array/vector of descriptors |
'desc' can be a single numeric giving a single descriptor or can be any container data type, such as vector or array, such that 'length(desc)' returns 2 or larger.
Return a character vector describing the descriptors.
## Load sample SD file # data(sdfsample); sdfset <- sdfsample ## Generate atom pair descriptor database for searching # apset <- sdf2ap(sdfset) ## Loads same atom pair sample data set provided by library data(apset) db <- apset ## Return atom pairs of first compound in human readable format db.explain(db[1])