Get Entity Classification

Source: R/get_classification.R

Retrieve entity classification from `http://classyfire.wishartlab.com/entities/'. The optional local cache function enables classification requests with less waiting time. Furthermore, there will be fewer traffic on the classyFire servers. For best high efficiency there is an option for creating a SQLight database to cache results.

get_classification(inchi_key, conn = NULL)

Arguments

inchi_key

a character string of a valid InChIKey
conn

a DBIConnection object, as produced by dbConnect

Value

a ClassyFire S4 object.

See also

ClassyFire-class

Examples

if (FALSE) {

# Valid InChI key where all four classification levels are available
get_classification('BRMWTNUJHUMWMS-LURJTMIESA-N')

# Valid InChI key where only three classification levels are available
get_classification('MDHYEMXUFSJLGV-UHFFFAOYSA-N')

# Invalid InChI key
get_classification('MDHYEMXUFSJLGV-UHFFFAOYSA-B')
}