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I just rebuilt PyDQED and PyDAS binaries with the latest conda on MacOS, and now can't build RMG-Py with it, getting `ValueError: numpy.dtype has the wrong size, try recompiling`.
It looks like PyDAS…
rwest updated
9 years ago
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I am currently in the process of synthesising the following three Series 3 aminothienopyrimidine molecules with modifications to the sulfonamide group.
Starting with 3-bromobenzene sulfonyl chloride,…
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Hi all, looking for some clarification/advice on InChi strings perhaps @murrayfold @cdsouthan or @madgpap could help but please chime in if you know.
I was just looking through the compound list as I'…
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Now that we have the PDF of structures vs potencies
http://malaria.ourexperiment.org/biological_data/10041
we need to make sure we have a diagram on the wiki of all the known ethers. @JoannaUbels we…
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Now that we have the PDF of structures vs potencies
http://malaria.ourexperiment.org/biological_data/10041
we need to make sure that the current diagram on the wiki of all the known amides is comple…
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Some amides synthesised by the CRO showed promising activity and @JoieG has suggested a couple of 'hybrid' amides that the team could synthesise (http://malaria.ourexperiment.org/uri/41f). The team ne…
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I have tested the Nitrogen branch with the new additions around RDKit. The common three-valent nitrogen species work great and make nice pictures of the species. However four-valent nitrogen results i…
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right now the full text search in postgres will only search (and match) whole strings
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http://bard.nih.gov/api/v12/search/compounds/?q=O%3DS%28*C%29%28Cc1ccc2ncc%28CCNC%29c2c1%29%3DO&skip=0&top=2&expand=true
http://bard.nih.gov/api/v12/search/projects/?q=zinc+ion+binding&filter=fq(gomf…
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Hi,
```
some months ago I wrote this post: https://github.com/ideashower/ShareKit/issues/281
```
It is possibile to add this functionality to the SHLMail code?
thank you