mcs07 / PubChemPy

Python wrapper for the PubChem PUG REST API.
http://pubchempy.readthedocs.io
MIT License
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the sdf record approach recommend #27

Open a358003542 opened 6 years ago

a358003542 commented 6 years ago

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 method which is popularity in the web.

I reccomend the sdf approach , the temp pysdf project .

It is really ease to parse the sdf content , and we will get the molfile_content and other property.

Please check here my work: chem .

we get the original property from the sdf file, and only need do some rename trick and we will get out property name directly.