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Hi @GemmaTuron,
In the `data` folder there are `all_molecules_$MODEL_ID.csv` files that I calculated
I suggest we do the following plots using a Jupyter Notebook:
1. A histogram or density p…
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This asset currently uses [PUBCHEM.COMPOUND:56842000](https://nodenormalization-sri.renci.org/get_normalized_nodes?curie=PUBCHEM.COMPOUND:56842000&conflate=true&drug_chemical_conflate=true&description…
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Hello Debbie, Jesus, all,
I am working with Achchuthan Shanmugasundram, a new curator with Eupath. He will be working through some remaining. Our question that we have many, many "resistance to x" an…
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Hello!
I added photoresist polymer named SU8, which has chemical formula C65.715 O13.934 F18.82 S0.957 H0.574 and refractive index is complex refractive index ((1-δ)-i*β; δ is refractive index; β is …
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In MultitaskScaffoldSplitter, with certain datasets, you often see warning messages saying "two scaffolds match exactly?!?". This happens when the minimum Tanimoto distance between pairs of compounds …
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Hello Zilong, thank you for your excellent work and sharing of data. I would like to ask you about how to use train.csv. I don't understand what its different rows represent. Which rows are the measur…
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Several scientists from UCL team (Hadia Almahli) and DLS team (Jasmin Aschenbrenner and Daren Fearron) carried out multiple curations for the various sets of merged compounds (1500 compounds) propose …
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Thank you for creating this valuable tool. I'm wondering how I can visualize the database I've created following the documentation. Also, could you please summarize the variations I can expect in the …
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I could use either of these terms, do we need both?
GO:0006539 glutamate catabolic process via 2-oxoglutarate
Definition
The chemical reactions and pathways resulting in the breakdown of g…
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- [x] We should have the hierarchy:
- calibration compound
- chemical shift calibration compound
- chemical shift reference compound
- concentration calibration compound
- [x] En…