pc_prop()
returned NA
without much further explanation if any of the queries were not positive integers. The updated function attempts to coerce queries to positive integers, only progresses valid queries, and prints informative messages along the way if verbose messages are enabled.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.Add the following code to your website.
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