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Merge branch 'master' of https://github.com/mcs07/PubChemPy
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mcs07 committed Sep 21, 2015
2 parents 238d2bb + 8cf9369 commit 7cbd2d4
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15 changes: 8 additions & 7 deletions README.rst
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Expand Up @@ -17,15 +17,16 @@ PubChemPy provides a way to interact with PubChem in Python. It allows chemical
similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical
properties.

::

from pubchempy import get_compounds, Compound
.. code:: python
comp = Compound.from_cid(1423)
print comp.isomeric_smiles
>>> from pubchempy import get_compounds, Compound
>>> comp = Compound.from_cid(1423)
>>> print(comp.isomeric_smiles)
CCCCCCCNC1CCCC1CCCCCCC(=O)O
>>> comps = get_compounds('Aspirin', 'name')
>>> print(comps[0].xlogp)
1.2
comps = get_compounds('Aspirin', 'name')
print comps[0].xlogp
Installation
------------
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