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Could we use this code against protein structure so it can design small drug like molecules against targeted structure ? If yes any details?
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Joy reported this from a teacher...
Run [this program](https://code.pyret.org/editor#share=1WqFQ_uZtplDvcbi35ojDWZzOVbREP4un&v=dc8be4e), then evaluate `Cell-Table` in the interactions area. You can…
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Dear Irwin,
First, thank you for your efforts in serving and maintaining this great database!
I am trying to download all the 2D and 3D drug-like tranches, but it seems that I have been unable t…
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Drug product is defined in DRON as the following: a material entity (1) containing at least one scattered molecular aggregate as part that is the bearer of an active ingredient role and (2) that is it…
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Open drug discovery projects have several advantages, _and one of those needs to be the ease with which people can contribute physical samples for evaluation_: either molecules they have made for the …
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Choose images!
First image (The synapse image? Image of the molecules that our drugs target? Magic mushrooms!? MRI/EEG equipment?) - tell about our work, esp. aims and methods
Second image (some s…
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Service Provider / BTE uses different mappings from biolink-model, so the data integrates with other sources better (multi-hop queries):
STY:T195 (antb, full name: Antibiotic) -> We map it to Small…
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Hi, do you have the trained SELFIES VAE available for download somewhere?
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### Model Name
DelFTa quantum mechanical properties prediction
### Model Description
DelFTa predicts quantum-mechanical properties of drug-like molecules. It uses 3D message-passing neural networks…
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At present we have found correlations with bitter (which seem to be insignificant). How about finding this split for different categories like:
1. Sweet
2. Bitter
3. Odor
4. Any combination of th…