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Next step of my internship
## Background
With molecules from parquet files, the PDB identifiers have been obtained with UniChem. From this, the PDB ID of structures in complex with the molecules…
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something seems odd about how MyChem deals with Rhea:
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A:
having chebi.xrefs.rhea is odd since the Rhea IDs are actually reactions that the various chemicals are involved in. Instead, I …
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See diagnosis in #104
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mychem.info provides mappings between chemicals and the rhea database. For example, output for http://mychem.info/v1/query?q=chebi.id:CHEBI\:16169&fields=chebi.xrefs.rhea is shown below. I would lik…
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There seems to be a broken link in all the ChEMBL compound report cards for FDA GSRS, under ‘UniChem cross references’.
e.g. https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL192/ - Look a…
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Planned to include:
- #165
- #164
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Where do we get our chemical structure diagrams from?
I had comments from a chemical biologist that the structure for this example looks strange:
https://alpha.targetvalidation.org/drug/CHEMBL42864…
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The header on your page says "See every available vaccination booking slot near you."
But I'm not sure it's showing the booking slots that are available that are outside the official booking syste…
orb16 updated
3 years ago
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Comments/issues on data review.
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- [x] make sure issue95 branch Travis CI test-suite passes
- [x] create a `r5a.8xlarge` instance `kg2build.rtx.ai` for the build
- [x] clone the RTX-KG2 repo into the instance but use the `issue95` …