1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
|
.. _misc:
Miscellaneous
=============
.. _datasources:
Data Sources
------------
Get a list of data sources in ChemSpider using the :meth:`~chemspipy.api.ChemSpider.get_datasources` method:
>>> cs.get_datasources()
['Abacipharm', 'Abblis Chemicals', 'Abcam', 'ABI Chemicals', 'Abmole Bioscience', 'ACB Blocks', 'Accela ChemBio', ... ]
Format Conversion
-----------------
Convert between different molecular representations using the :meth:`~chemspipy.api.ChemSpider.convert` method::
>>> cs.convert('c1ccccc1', 'SMILES', 'InChI')
'InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H'
Allowed conversions:
- From ``InChI`` to ``InChIKey``
- From ``InChI`` to ``Mol``
- From ``InChI`` to ``SMILES``
- From ``InChIKey`` to ``InChI``
- From ``InChIKey`` to ``Mol``
- From ``Mol`` to ``InChI``
- From ``Mol`` to ``InChIKey``
- From ``SMILES`` to ``InChI``
|
