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Using python epam.indigo 1.4.0b0
I've built a bingo NoSQL DB which is returning a similarity score of "1" (the max) when comparing the following different molecules (the first inchi is given as se…
twall updated
6 months ago
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https://academic.oup.com/bioinformatics/advance-article-abstract/doi/10.1093/bioinformatics/btaa973/5988483
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The formulae/InChi/key are about the cation, the rest is about the chloride.
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**Describe the bug**
Not able to add a publication (Pubmed ID) in the Lipid - Generic Information
**Page**
Lipid - Generic Information
**To Reproduce**
Steps to reproduce the behavior:
1. Go…
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**Consider adding:**
SMILES list search functionality on the ChEMBL interface
List search for names, InChI key, ChEMBL_ID
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Hey,
Kekule.js is amazing and I'm wondering why haven't come across it earlier. Thank you for creating and maintaining Kekule.js!
The procedure mentioned [here ](http://partridgejiang.github.io/Ke…
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So far copy/paste works only for molfiles. It would be nice if curation interface could recognize other formats, convert them on the fly to molfile and load it into sketcher. This should be done on th…
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The CHEMBL curie [CHEMBL.COMPOUND:CHEMBL3545252](https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3545252/) gets mapped to [PUBCHEM.COMPOUND:148123](https://pubchem.ncbi.nlm.nih.gov/compound/Do…
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I have recently come across a script that can be incorporated directly into Google Sheets which allows for automatic structure generation by converting strings to an image through the [Chemical Identi…
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The following code is indented like this. I think the first line should not be indented. Is it a bug? Thanks
```
. as $all
| (.molecules | .[] | [.molecule_structures.standard_inchi_key, .molecu…