Published March 3, 2016
| Version v0.1.0
Software
Open
webchem: webchem v0.1.0
Creators
- 1. University of Koblenz-Landau
- 2. Scientific consultant
Description
webchem v0.1.0
NEW FEATURES
- added cts_to() and cts_from() to retrieve possible ids that can be queried.
- cts_(), pp_query(), cir_query(), get_cid(), get_etoxid(), etox_(), pan_query() get_wdid(), aw_query(), get_csid(), cs_prop(), cs_compinfo() and ci_query() can handle multiple inputs.
- pc_prop() queries properties and pc_synonmy() synonyms from PUG-REST.
- added extractors for webchem objects: cas(), inchikey() and smiles().
MINOR IMPROVEMENTS
- rewrite of pubchem functions using PUG-REST
- chemspider: better use of NA in input (=return NA)
- more robust matching in get_etoxid
BUG FIXES
- pan_query() did not return numeric values
- get_cid() failed with multiple results
DEPRECATED FUNCTIONS
DEFUNCT FUNCTIONS
- ppdb_query() has been removed due to copyright issues. The new ppdb_parse() parses only a html, but does not interact with the database
- pan()
- alanwood()
- get_cid()
- cid_compinfo()
- chemid()
- physprop()
Files
webchem-v0.1.0.zip
Files
(176.6 kB)
Name | Size | Download all |
---|---|---|
md5:e4f44b5c6caa10533f657717fcf62386
|
176.6 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/ropensci/webchem/tree/v0.1.0 (URL)