Chemical Information from the Web
NEW FEATURES
nist_ri
function now returns a column with the CAS number to facilitate querying of multiple retention index tables.nist_ri
function can now take multiple arguments for type
, polarity
and temp_prog
.as.cas
in bcpc_query
, cts_convert
, get_etoxid
, fn_percept
, get_cid
, and srs_query
.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
NEW FEATURES
chembl_*()
functions. ChEMBL is a manually curated database of bioactive molecules with drug-like properties.BUG FIXES
nist_ri()
to fail. This has been fixed.NEW FEATURES
BUG FIXES
NEW FEATURES
BUG FIXES
MINOR IMPROVEMENTS
NEW FEATURES
BUG FIXES
NEW FEATURES
cir_img()
.cs_img()
.find_db()
checks if a query gets a hit in most databases integrated in webchem. Useful for deciding which of several databases to focus on given a set of chemicals.MINOR IMPROVEMENTS
"type"
argument in ci_query()
and aw_query()
has been changed to "from"
for consistency with other functions.fn_percept()
and cts_compinfo()
now have "query"
and "from"
arguments for consistency with other functions."from"
have been made more consistent across functions.pc_synonyms()
, cts_convert()
, cir_query()
have been changed to use the match
argument instead of choices
for consistency with other functions.get_etoxid()
output changed slightly so that the matched chemical name string no longer includes the etoxid in parentheses.is.cas()
is now vectorized.BUG FIXES
NEW FEATURES
from =
argument. [PR #241, added by @andschar]cas
argument is deprecated. Use query
instead with from = "cas"
MINOR IMPROVEMENTS
get_*()
functions now output tibbles with a column for the query and a column for the retrieved IDget_*()
functions to make them more consistentBUG FIXES
NEW FEATURES
MINOR IMPROVEMENTS
BUG FIXES
DEPRECATED FUNCTIONS
DEFUNCT FUNCTIONS
NEW FEATURES
MINOR IMPROVEMENTS
BUG FIXES
DEPRECATED FUNCTIONS
DEFUNCT FUNCTIONS
NEW FEATURES
MINOR IMPROVEMENTS
BUG FIXES
DEPRECATED FUNCTIONS
DEFUNCT FUNCTIONS