-
We should not declare periodic table elements in a traceability vocabulary. DARPA did this work in 2003:
http://explore.dublincore.net/learning_resource/periodic-table-in-owl/
There is also the …
-
Neil Swainston wrote:
Multiple Sequences per ComponentDefintion. I’m a little troubled by this. As far as I can see, this introduction is causing problems elsewhere in the specification. And the onl…
-
INChIPlainTextFormat recognizes a string as an InChI only if it starts with INChI (notice upper-cased N). But when parsing the structure into IAtomContainer it fails to recognize such string.
Expec…
-
Hello, I'm new to the cdk project. As a Java software developer, I try to adapt the fork we have from cdk version 2.0 and upgrade with the changes for 2.3.
I think that there is a problem with unit…
-
My molecules are stored in XYZ format in a pandas DataFrame and I'm trying to iterate them to chemml, It looks like I can not pass a string directly and I was with the impresison that this was possibl…
-
smiles | string | The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon.
…
-
I did see someone did ask about doing a redirect on a task complete and had no error/was successful. I am after something similar but looking to redirect to a url from my urls.py not too familiar with…
-
when running
`python basic_ea.py`
The first initial generation of 25 .mol files/molecules is being generated, but then line 191 gives rise to this conversion error and the EA run doesn't occur/…
-
Example 1:
```
[Term]
id: EFO:0000544
name: infection
def: "The state of being infected such as from the introduction of a foreign agent such as serum, vaccine, antigenic substance or organism.…
-
Hi,
I've followed vignette etc. for setting up conversion of InChIKey to SMILES, but keep getting this error:
```
ChemSpider Response Error Details: "401: Unauthorized. Check you have supplied …
giovp updated
4 years ago