uCAREChemSuiteCLI (version 0.2.0)

drug.class.deterministic: drug.class.deterministic

Description

Takes structure data file (SDF) of candidate drug and predicts its drug class using deterministic model.

Usage

drug.class.deterministic("sdf")

Arguments

sdf

input sdf file

Value

predicted drug class of the candidate drug by deterministic model

Details

uCAREChemSuiteCLI

Examples

# NOT RUN {
{
example.class.deterministic<- system.file('extdata/example.sdf', package="uCAREChemSuiteCLI")
drug.class.deterministic(example.class.deterministic)
}
# }