## ----eval=FALSE--------------------------------------------------------------- # if (!requireNamespace("BiocManager", quietly=TRUE)) # install.packages("BiocManager") # BiocManager::install('biodbNci') ## ----results='hide'----------------------------------------------------------- mybiodb <- biodb::newInst() ## ----------------------------------------------------------------------------- conn <- mybiodb$getFactory()$createConn('nci.cactus') ## ----------------------------------------------------------------------------- dbExtract <- system.file("extdata", 'generated', "cactus_extract.txt.gz", package="biodbNci") conn$setPropValSlot('urls', 'db.gz.url', dbExtract) ## ----------------------------------------------------------------------------- ids <- conn$getEntryIds(2) ids ## ----------------------------------------------------------------------------- entries <- conn$getEntry(ids) entries ## ----------------------------------------------------------------------------- x <- mybiodb$entriesToDataframe(entries) x ## ----------------------------------------------------------------------------- conn$wsChemicalIdentifierResolver(structid='C=O', repr='InChI') ## ----------------------------------------------------------------------------- conn$convCasToInchi('87605-72-9') conn$convCasToInchikey('87605-72-9') ## ----------------------------------------------------------------------------- mybiodb$terminate() ## ----------------------------------------------------------------------------- sessionInfo()