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.. ChemSpiPy documentation master file
ChemSpiPy
=========
.. sectionauthor:: Matt Swain <m.swain@me.com>
**ChemSpiPy** provides a way to interact with ChemSpider in Python. It allows chemical searches, chemical file
downloads, depiction and retrieval of chemical properties. Here's a quick peek::
>>> from chemspipy import ChemSpider
>>> cs = ChemSpider('<YOUR-API-KEY>')
>>> c1 = cs.get_compound(236) # Specify compound by ChemSpider ID
>>> c2 = cs.search('benzene') # Search using name, SMILES, InChI, InChIKey, etc.
Features
--------
- Search compounds by synonym, SMILES, InChI, InChIKey, formula and mass.
- Get identifiers and calculated properties for any compound record in ChemSpider.
- Download compound records as a MOL file with 2D or 3D coordinates.
- Get a 2D compound depiction as a PNG image.
- Complete interface to every endpoint of the ChemSpider Web APIs.
- Supports Python versions 2.7 and 3.5+.
User Guide
----------
A step-by-step guide to getting started with ChemSpiPy.
.. toctree::
:maxdepth: 2
guide/intro
guide/install
guide/gettingstarted
guide/compound
guide/searching
guide/misc
guide/advanced
API Documentation
-----------------
Comprehensive API documentation with information on every function, class and method.
.. toctree::
:maxdepth: 2
api
Additional Notes
----------------
.. toctree::
:maxdepth: 2
notes/license
notes/contributing
notes/migrating
notes/changelog
Useful links
------------
- `ChemSpiPy on GitHub`_
- `ChemSpiPy on PyPI`_
- `Issue tracker`_
- `Release history`_
- `ChemSpiPy Travis CI`_
.. _`ChemSpiPy on GitHub`: https://github.com/mcs07/ChemSpiPy
.. _`ChemSpiPy on PyPI`: https://pypi.python.org/pypi/ChemSpiPy
.. _`Issue tracker`: https://github.com/mcs07/ChemSpiPy/issues
.. _`Release history`: https://github.com/mcs07/ChemSpiPy/releases
.. _`ChemSpiPy Travis CI`: https://travis-ci.org/mcs07/ChemSpiPy
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