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ropensci
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webchem
Chemical Information from the Web
https://docs.ropensci.org/webchem
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RepoRT: a comprehensive repository for small molecule retention times
#418
stitam
opened
2 months ago
0
Get_cid pulls many CIDs, some wrong
#417
daithi45
opened
4 months ago
2
pc_sect and section EPA-IRIS-Informtion
#416
c1au6i0
opened
5 months ago
2
Add vignettes (back?) to pkgdown website
#415
Aariq
closed
4 months ago
2
update actions/checkout
#414
Aariq
closed
7 months ago
0
Improve input validation
#413
Aariq
opened
1 year ago
1
cir_query doesn't return SMILES string even though it exists in PubChem
#412
tcash21
closed
1 year ago
2
Expand use of `vcr` in testing
#411
Aariq
opened
1 year ago
0
WIP: use `httptest` for API mocking
#410
Aariq
opened
1 year ago
0
Update issues templates
#409
Aariq
closed
1 year ago
1
Ensure all CIDs are positive integers when using pc_prop()
#408
stitam
closed
1 year ago
0
Character CID that can't be coerced to numeric in `pc_prop()` results in `NA` output for all CIDs
#407
schymane
closed
1 year ago
13
is.na > 1 error
#406
bmgarcia
closed
1 year ago
5
More edits before releasing v1.3.0
#405
stitam
closed
1 year ago
0
PAN
#404
stitam
closed
1 year ago
0
Remove PAN from README
#403
stitam
closed
1 year ago
0
add DOI badge (#347) and additional use cases (#355) to README
#402
Aariq
closed
1 year ago
1
Defunct PAN functions
#401
stitam
closed
1 year ago
0
Update workflow for R-CMD-check
#400
stitam
closed
1 year ago
0
`pan_query()` still broken. Should it be made defunct for v 1.3.0?
#399
Aariq
closed
1 year ago
5
Reformat cas
#398
ethanbass
closed
1 year ago
4
Final edits before v1.3.0
#397
stitam
closed
1 year ago
0
Release webchem 1.3.0
#395
stitam
closed
1 year ago
1
Fix tests for NIST and ChEMBL
#394
stitam
closed
1 year ago
0
Defunct ci_query() and purge ChemIDplus from package
#393
stitam
closed
1 year ago
2
Fix pc_sect() failing on certain CIDs
#392
BrianFFish
closed
1 year ago
3
nist_ri() fails
#391
stitam
closed
1 year ago
5
ChemIDplus has been retired
#390
stitam
closed
1 year ago
4
error with etox_basic()
#389
lego-yaw
opened
1 year ago
1
Use `httptest` for API mocking
#388
Aariq
opened
1 year ago
7
improve reliability of `with_cts()`
#387
Aariq
closed
1 year ago
2
update to actions/checkout@v3
#386
Aariq
closed
1 year ago
3
extract PubChem section's content
#385
francoiskroll
opened
1 year ago
2
fix bug when search matches multiple records
#384
ethanbass
closed
1 year ago
1
Any way to search by Mass?
#382
mr-september
opened
1 year ago
4
Common Chemistry CAS API
#381
Aariq
opened
1 year ago
0
fix URL for pkgdown
#380
maelle
closed
1 year ago
2
Return CAS number from nist_ri
#379
ethanbass
closed
1 year ago
21
Final edits before submitting to CRAN
#378
stitam
closed
1 year ago
0
Release webchem 1.2.0
#377
stitam
closed
1 year ago
0
Fix pkgdown config
#376
stitam
closed
1 year ago
0
Fix for #374, adds "µ" to column name.
#375
Aariq
closed
1 year ago
3
RI Extraction issue
#374
Ellakai
closed
1 year ago
3
Fix pkgdown config for reference
#373
maelle
closed
1 year ago
3
Update ChemSpider to accept API keys provided during function call
#372
stitam
closed
1 year ago
0
Issue template that directs people to Discussions
#371
Aariq
closed
1 year ago
0
no API key stored for ChemSpider
#370
Ellakai
closed
1 year ago
6
Add sleep to ChemSpider functions
#369
stitam
closed
2 years ago
2
get_csid() always returning error "Service not available. Returning NA."
#368
CesarIsguerra
closed
1 year ago
8
cir_query fails when the identifier is a SMILES containing a '%'.
#367
f-puig
closed
2 years ago
2
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