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When there are no bonds in the structure some structure editors (Ketcher via the Indigo framework in the back) serialize V3000 Molfiles with an empty bond block:
```
-INDIGO-08292417452D
0 …
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(CC @newgene @erikyao for pending BioThings, @rjawesome as the original person who worked on the parser https://github.com/biothings/pending.api/issues/70)
Andy Crouse from Translator's UI team poi…
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Is there any function in PubChemPy that can return compounds' physical properties?
Yaoyx updated
4 years ago
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**Is your feature request related to a problem? Please describe.**
I want to display a molecule in 3D via [ThreeJS](https://threejs.org/examples/webgl_loader_pdb.html) and the [PDBLoader](https://thr…
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`Indigo.loadFingerprintFromDescriptors()` and `Indigo.loadFingerprintFromBuffer()` exist, as does `Bingo.insertWithExtFP()`, but the documentation on how to use these to implement a bingo DB with exte…
twall updated
6 months ago
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charge should be a functional inheritable property (see https://github.com/oborel/obo-relations/pull/723), but this is in conflict
[charges-inconsistencies.tsv.txt](https://github.com/ebi-chebi/ChE…
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Hi @oboforty,
The package sounds very nice and I would love to use it for a project. I followed the instructions for the installation, which seems to have worked fine (using PostgreSQL 12.11). Howe…
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Hello,
on the landing pages of reactions (e.g. [reaction 1364](https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-VQHSHKAJCS-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ)) the RInChI and RInChIKeys are s…
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Dear authors,
Could you share me with a scricpt that can query pubchem CID of thousands of compounds by CAS numbers (using a text file containing a list of CAS numbers) though pubchempy? Thank you…
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~~With version 5 of the [CORD19 dataset](https://www.kaggle.com/allen-institute-for-ai/CORD-19-research-challenge) a list of Anti-Viral Candidate Compounds was included.~~
Actually, i just realized…
motey updated
3 years ago