amanida (version 0.3.0)

check_names: Amanida harmonization

Description

check_names check the names to harmonize them to a common nomenclature. Valid names are: chemical name, InChI, InChIKey and SMILES.

Usage

check_names(data)

Value

tibble table with data imported with PubChem ID retrieved

Arguments

data

data imported using amanida_read function

Details

Note that check_names depends on webchempackage and it slows down the process.

Formats compatible are amanida_read output

Examples

if (FALSE) {
coln <-  c("Compound Name", "P-value", "Fold-change", "N total", "References")
input_file <- getsampleDB()
datafile <- amanida_read(input_file, mode = "quan", coln, separator=";")

data_checked <- check_names(datafile) 
}