build.LIPIDMAPS: Build LIPID MAPS

In MetaDBparse: Annotate Mass over Charge Values with Databases and Formula Prediction

Description

Parses the LIPID MAPS DB, returns data table with columns compoundname, description, charge, formula and structure (in SMILES)

Usage

build.LIPIDMAPS(outfolder, testMode = FALSE, apikey)

Arguments

outfolder	Which folder to save temp files to?
testMode	run in test mode? Only parses first ten compounds
apikey	ChemSpider API key

Value

data table with parsed database

See Also

download.file unzip as.data.table,fread,rbindlist datablock2ma,datablock read_xml html_nodes,html_text str_match pbapply stri_detect

Examples

## Not run: build.LIPIDMAPS(outfolder=tempdir(), testMode=TRUE)

MetaDBparse documentation built on May 3, 2021, 5:09 p.m.