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.srs_query() broke because the URL was no longer
working. We have updated the URL.is.inchikey(type = "chemspider") broke because the URL
was no longer working. We have updated the URL but the function now
requires an API key like all other ChemSpider functions.pc_prop() failed with properties = NULL
because the list of accepted property names had changed. We have updated
the list.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.
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