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According to many sources, thalidomide has an InChiKey of `UEJJHQNACJXSKW-UHFFFAOYSA-N`
e.g.
http://c.biothings.io/v1/query?q=drugbank.name%3Athalidomide
In CHEBI, [thalidomide](http://www.ebi.…
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CTSgetR(id = "n-[2-(6-amino-9h-purin-9-yl)ethyl]-n-(2-furylmethyl)amine",
from = "Chemical Name",
to = "KEGG",
db_name ='ctsgetr.sqlite')
Error in `map()`:
ℹ In index: 1…
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```
Adsorbate Specification
{
"InChIKey": "CSCPPACGZOOCGX-UHFFFAOYSA-N",
"name": "Acetone",
"InChICode": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3",
"formula": "C3H6O",
"synonyms": …
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as well as no rdfs:label, that would REALLY useful
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In chebi.owl file there are 7 annotation properties in ChEBI namespace, and they all have only type defined:
```
…
hricd updated
2 months ago
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**Is your feature request related to a problem? Please describe.**
It seems that it is not possible to obtain an InChI Key from a molecule with the same options as in Python.
**Describe the soluti…
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Do you plan to add RInChI and RInChIKey in identifiers.org?
Also, the InChIKey regex should have **$** at the end. A string longer than `[A-Z]{14}-[A-Z]{10}-[A-Z]` has no sense for InChIKey.
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Document case where the entity `Summary` text does not match the corresponding information provided in the ground:
- Document: [Cancer Res 74 2014](https://biofactoid.org/document/3c8b8d4b-88fb-4f3…
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As suggested by @michaelwitting in issue #61 we should agree on a base nomenclature for compound/spectra identifiers. I am generally no big friend of camelCase in variable names (just too easy to miss…
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Opening up the option to have Wikidata link out to this database.
egonw updated
3 years ago