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The /structure API call with the example SMILES and InChI returns a 0 response. (Dev and 2.0)
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### Discussed in https://github.com/epam/Indigo/discussions/680
Originally posted by **xjjius** February 23, 2022
I used to download the compiled c libraries from official website, which works…
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The formulae/InChi/key are about the cation, the rest is about the chloride.
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I'm wondering why the list of input file types is limited to SDF, MOL, MOL2, CML, InChI and SMILES? I would like to convert pdb to sdf which is possible on the commandline.
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```
Adsorbate Specification
{
"InChIKey": "CSCPPACGZOOCGX-UHFFFAOYSA-N",
"name": "Acetone",
"InChICode": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3",
"formula": "C3H6O",
"synonyms": …
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https://academic.oup.com/bioinformatics/advance-article-abstract/doi/10.1093/bioinformatics/btaa973/5988483
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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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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…
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The purpose of the `compound` table:
1) contain a unique entry for one compound
2) allow to group e.g. multiple MS2 spectra to a single entity.
The question however is how to define a compound. W…
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A set of 16 compounds have just been sent to Dundee for screening against _P. falciparum_.
THE PREDICTIVE MODELLING COMPETITION HAS CONCLUDED ([HERE](https://github.com/OpenSourceMalaria/Series4_Pr…