webchem (version 0.0.3.1)

ppdb_query: Query the ppdb for information

Description

This function queries the PPDB http://sitem.herts.ac.uk/aeru/iupac/search.htm for information.

Usage

ppdb_query(cas, verbose = TRUE)

Arguments

cas

character; CAS number to query.

verbose

logical; print message during processing to console?

Value

• A list of 10 data.frames : ec_regulation, approved_in, general, parents, fate, deg, soil, metab, etox and names.

  See also http://sitem.herts.ac.uk/aeru/iupac/docs/Background_and_Support.pdf for more information on the data

Examples

# might fail if Server is not available
gly <- ppdb_query('1071-83-6')
gly$approved_in

# handle multiple CAS
 cas <- c('1071-83-6', '50-00-0')