Published June 17, 2022
| Version v1.1.3
Software
Open
ropensci/webchem: webchem v1.1.3
Creators
- 1. @basf
- 2. Biological Research Centre
- 3. University of Arizona
- 4. University Landau
- 5. Scientific consultant
- 6. University of Copenhagen
- 7. @BiGCAT-UM
- 8. @biomegroup
- 9. Champalimaud Centre for the Unknown
Description
NEW FEATURES
- cir_query() now returns a tibble instead of a list to be consistent with other translator functions. This is a potentially breaking change for users.
BUG FIXES
- cts_convert() now accepts numeric input as well e.g. PubChem CID.
- get_cid() became more robust to smiles queries with special characters.
- bcpc_query() now correctly parses the activity in cases that two activities are given (e.g. "herbicides" and "plant growth regulators").
Files
ropensci/webchem-v1.1.3.zip
Files
(188.8 kB)
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md5:e881de3b1745d671bbc792c855f96743
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Additional details
Related works
- Is supplement to
- https://github.com/ropensci/webchem/tree/v1.1.3 (URL)