Comments (2)
A couple of minutes ago, I went through the Jupyter-notebooks of this
project. Book "2-getting-started.ipynb" includes a SMILES-based
search, which is working (even in Python 3). Can you replicate this
on a computer accessible to you?
From the CLI in Linux Debian 12/bookworm:
Python 3.9.9 (main, Dec 16 2021, 23:13:29)
[GCC 11.2.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import pubchempy as pcp
>>> pcp.get_compounds('C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1', 'smiles')
[Compound(1318)]
>>>
``
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The same code that was raising the error before (executed in the same env) now works fine again and gives the same result that you report.
Seems like this was an API outage on pubchem side.
Thanks for looking into this and building this useful library :)
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Related Issues (20)
- Dose
- pubchempy missing results available on the pubchem web page HOT 2
- Using the search bar
- Errors in the encoding of some bits HOT 1
- Is it possible to calculate the PMI of the compounds?
- Is it possible to get 3D coordinates of ligand using CID or SID? HOT 1
- Is it possible to list the position of each functional group (atom number of key atom) in iupac name?
- obtaining compounds by property
- Timeout
- obtaining CCS values
- Assay.from_aid().to_dict() fails for multiple AIDs
- Minor python syntax problem
- Obtaining hazard classes and categories
- Certain compounds cannot be retrieved by name anymore
- Can not generate SMILES of compounds from known CAS numbers HOT 4
- Neither NAMES nor CAS hyphened numbers, verified on PubChem, seem to retrieve many compounds' SMILES
- Get compounds function is too slow HOT 9
- Ask for help about how to find Pubchem CID of many compounds by CAS numbers HOT 3
- Inconsistencies in Isomeric SMILES Data Retrieval Using PubChemPy Compared to Previous Data
- Questions about "Chemical and Physical Properties"
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