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So, a thing that you have in chemistry is that you have a solution, within which your species are. However, there is a limit to how much of each species the liquid can solve, and the amount of a speci…
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![20240430 CNP15](https://github.com/StructuralGenomicsConsortium/CNP15-Solubility-Analysis/assets/147162201/ee4922c9-4fa7-4269-8544-2645e0eb760a)
[Here](https://github.com/StructuralGenomicsCo…
qxsml updated
2 months ago
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Hello!
I'm using react-vega to render visualizations from a JSON schema. It works well, except when I want to display a vertically concatenated view (using vconcat) that fits the container size and…
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Amazing devs of Clapeyron.jl,
Sorry to trouble you guys again. I'm exploring parameter estimation for PCSAFT of APIs. Due to the low vapour pressure of APIs, obtaining $p_{sat}$ and $\rho_{l,sat}$ …
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RA-0002723 is one of the purchased analogues of the original hit [RA-00010017-01](https://github.com/StructuralGenomicsConsortium/CNP7-RdRp-S1-Tetrazole/assets/133207721/25bc9b1c-ed97-4bd1-b79f-975901…
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**Summary !!!**
- **BioModel Name**: Francoeur2021 - SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction
- **BioModel Tag**: Machine learning model, Ersilia
- **Metadata…
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**Summary !!!**
- **BioModel Name**: Sun2019 - Predictive models of aqueous solubility of organic compounds.
- **BioModel Tag**: fair AIML, Machine learning model
- **Metadata Comments**:
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![Predicted vs experimental solubility](https://github.com/StructuralGenomicsConsortium/CNP15-Solubility-Analysis/assets/147711692/89381938-852b-45e5-bbb1-00f9dbac918f)
![cLogP vs exp solubility](htt…
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Background to Meeting on May 24th 2016 (#386).
**Question**: Are we right to target improved aqueous solubility as our key strategy?
**Question**: Might improvements in aqueous solubility also impro…