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There should be some simple, documented REST web API calls that can be integrated into code and a Python module.
e.g.
pqr.pitt.edu/search?name=aspirin
returns a list of InChI keys matching the searc…
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I've tried now a couple of times to add structure details like inchl key to compounds and it won't allow me (see screen shot). The compound is there but no structure details are shown so not sure why…
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Updated due to meeting postponement: Meeting number 10 will happen on Monday July **27th** at [these times](http://www.timeanddate.com/worldclock/meetingdetails.html?year=2015&month=7&day=27&hour=6&mi…
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So, my group could go ahead and start doing things like running density calculations of solutions using `OpenMM`, but it would be good to cast this into the framework of what we will need for `Propert…
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```
The inchiKey checkbox should be disabled when the "From" selection box has
"InChIKey" selected
Easily done with JQuery
```
Original issue reported on code.google.com by `linuxm...@gmail.com` on …
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The following code returns a NULL pointer for inchikey:
``` c++
int mol = indigoLoadMoleculeFromString("C1CCCCC1");
const char* inchi = indigoInchiGetInchi(mol); // InChI=1S/C6H12/c1-2-4-6-…
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Hey @minkyungchong - do you have time for a short piece of data entry?
We need the data on [this page](http://malaria.ourexperiment.org/biological_data/13274) added to the [Master Sheet](https://docs…
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Today we received the green light from MMV to submit Paper 1, which is really exciting. There are just a few loose ends.
So, the Datatset. I think we’ve finished adding all the data we have for Serie…
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```
If subset names specified in subsetdef tags have underscores, they lose
everything after the underscore following OBO2OWL2OBO roundtrip. This seems to
come from rolling a URI using the subset n…
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I am starting a thread regarding the OSM's submission to the Open Science Prize. The following is a link to a shared Google Drive folder ( https://drive.google.com/open?id=0B6PPGQnT9f4FLXFlZmluLUFTQWc…