Nothing
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.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.chembl_*()
functions. ChEMBL is a manually curated database of bioactive molecules with drug-like properties.nist_ri()
to fail. This has been fixed.bcpc_query
now correctly parses the activity in cases that two activities are given (e.g. "herbicides" and "plant growth regulators").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."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.from =
argument.cas
argument is deprecated. Use query
instead with from = "cas"
.get_*()
functions now output tibbles with a column for the query and a column for the retrieved ID.get_*()
functions to make them more consistent.Any scripts or data that you put into this service are public.
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