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Hello,
the valid R-configurated SMILES
"C1-C-C-C-C-C1%11.O%10%11.N[C@@]%10(C)C(=O)O"
is converted to the S-configurated SMILES
"C1C(CCCC1)O[C@@](N)(C)C(=O)O"
using OpenBabel 2.0.1 Windo…
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I tried to download a lot of classification datasets and get many times this error
`getOMLDataSet(did = 3815, verbosity=0)`
`Fehler in parseXMLResponse(content, msg = paste0("Getting ", gsub("_", :…
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I think I have managed to import public eNM data into my system, and identified data suitable for read-across and QSAR modelling (which is (surprise ;-)) basically the protein corona dataset.
Total…
ghost updated
8 years ago
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This report is similar to issue #10. Here are my observations for JSON downloads.
Generally JSON downloads looks very good, basically what I expect from API specs. Links seem to be functional and the…
ghost updated
8 years ago
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Hi, I just have noticed MLR aggregates `rmse` on `rmse.test.sqrt.of.mean` (sqrt of the mean RMSE) when doing resampling. Is there a reason for that? Shouldn't it be just the mean RMSE (`test.mean`) wh…
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... favour the 'endpoint' parent as this is the way toxicologists think of toxicological categories
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```
How to reproduce it:
ssorgatem:/tmp$ export JPYPE_JVM=/usr/lib/jvm/java-6-openjdk/jre/lib/
amd64/server/libjvm.so
ssorgatem:/tmp$ python
Python 2.6.6 (r266:84292, Apr 20 2011, 09:34:38)
[GCC 4.5…
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Applies to branch: FileUpload
Through the web interface, MLR training fails with error message: "The parameter 'prediction_feature' is mandatory for this algorithm" (status code: 400).
I also tried …
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In the PMML representation of a MLR model as it is produced currently by jaqpot, the URI of the dataset is URL-encoded:
``` xml
```
See https://gist.github.com/alphaville/b55a1d1e64e7a52bf3c4
cURL…
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**Reported by Chris Poultney on 11 Dec 38774730 21:20 UTC**
When running make test, TCPTransfer_test fails. The error is the same on both linux systems I've
tried, one Ubuntu and one RedHat. uname -…