Published June 9, 2023 | Version v1.3.0
Software Open

ropensci/webchem: webchem v1.3.0

Creators

  • 1. @basf
  • 2. Biological Research Centre
  • 3. University of Arizona
  • 4. Bayer
  • 5. Cornell University
  • 6. Agroscope, Switzerland
  • 7. University of Copenhagen
  • 8. @BiGCAT-UM
  • 9. @biomegroup
  • 10. Champalimaud Centre for the Unknown
  • 11. Indiana University
  • 12. @ropensci

Description

NEW FEATURES

  • The nist_ri function now returns a column with the CAS number to facilitate querying of multiple retention index tables.
  • The nist_ri function can now take multiple arguments for type, polarity and temp_prog.
  • CAS numbers are automatically reformatted using as.cas in bcpc_query, cts_convert, get_etoxid, fn_percept, get_cid, and srs_query.
  • The as.cas function now has a verbose argument.
DEFUNCT FUNCTIONS
  • ci_query() has been removed from the package because NLM had retired ChemIDplus.
  • pan_query() has been removed from the package because PAN no longer supports programmatic access.
BUG FIXES
  • nist_ri() failed because the behaviour of a dependency had changed. This has been fixed.
  • pc_sect() failed when query response was valid but the content was NA. This has been fixed.

Files

ropensci/webchem-v1.3.0.zip

Files (189.6 kB)

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Additional details

Related works

Is supplement to
https://github.com/ropensci/webchem/tree/v1.3.0 (URL)