PubChemPy
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mcs07
Python wrapper for the PubChem PUG REST API.
I'm looking for a method to give me the MoA (mechanism of action) of compounds. I could not find such a method in your API. I also downloaded the XML...
I thought adding CAS number lookup would be a useful addition for this library!
I want to set a proxy for pubchempy. But I just wang to set for pubchempy instead of global proxy. What should I do? Modify the **pubchempy.py** or is there...
Hello, I'm trying to get xyz coordinates from Compound class. In _setup_atoms function (line 689) it looks like you are assigning the coordinates to _atoms dict with set_coordinates function. Where...
Hi , I am trying to test the glucose example to retrieve compunds from pubchem - I am using a jupyter notebook with python 3: import pubchempy as pcp results...
I have study the pubchem api for a while, and found that the best api approach from cheminformatics view, maybe the best api approach is not the general json approach...
Hi I am trying to get pubchem id for about 3k smiles, I worked one by one but was very slow, so I programmed a simple multi threading loop to...
Right now I am downloading the smiles one by one, from a compound ID with `mycp = pcp.Compound.from_cid(myCid) canSmiles = mycp.canonical_smiles` After a while, however, I get `urllib2.URLError: ` And...
Is there a way to get a full assay data without having to do a manual request?
pubchempy.get_compounds('NSC231854', 'name') results in an empty list, yet searching the same string on the pubchem web page gives [NSC231854; NSC-231854](https://pubchem.ncbi.nlm.nih.gov/substance/567558) Substance SID: [567558](https://pubchem.ncbi.nlm.nih.gov/substance/567558) Data Source: [DTP/NCI](https://pubchem.ncbi.nlm.nih.gov/source/DTP/NCI) External ID: 231854 Data...
