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I tried using the changed code from "partial fix for issue #127" ([])(https://github.com/ropensci/webchem/commit/c6d8089585b7788d4faa6fb7bf79fad1dbe293fc) but get for any csid:
cs_prop(5363)
htt…
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Similar to the Favorites list there should be an entry “Non defaults” in the Parameters tree, which displays all parameters with values different from PK-Sim default, simply identified by their “value…
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Hi All,
My name is David Smith and I have joined the project this week, working as a postdoc in Mat Todd's lab at The University of Sydney.
I'm starting with the synthesis of OSM-S-412 (MMV15578…
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The next batch of compounds from this years work so far (shown below) have now been shipped to Dundee for screening against _P. falciparum_.
**THE RELEVANT POTENCY DATA HAS BEEN RECEIVED AND IS POS…
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In PRCA.py from what I understand this adds in the reverse of a relation. But I don't think this line ever executes (in python2 or python3) because the contents of the file is already consumed in the …
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I was speaking with Craig Williams at UQ yesterday about his [lovely cubane work](http://onlinelibrary.wiley.com/doi/10.1002/anie.201510675/abstract), which largely validates cubane as a bioisostere o…
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The next set of compounds that I'm working to synthesise are as follows:
- It was previously found that the mono-Me amine was inactive compared to the free amine and the di-Me amine.
![amines](htt…
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How do you compute Druglikeness in the paper?
Page 5, you say that Druglikeness is composed of a **linear combination** of Novelty, Diversity, Solubility and Synthetizability, without specifying th…
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First of all, I love the app and share it all over the place. Saw this lovely ingredient in a product today and didn't come up in your app. I'm happy to contrib/write docs if you are interested. I don…