Jip J. Dekker
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3aaed985fe
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Merge branch 'develop' into feature/chemspider-parser
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2014-04-16 17:00:59 +02:00 |
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Jip J. Dekker
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873231439c
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Merge branch 'develop' into feature/Wikipedia
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2014-04-16 16:59:25 +02:00 |
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Jip J. Dekker
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d603e388e6
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Merge branch 'hotfix/1-searchable' into develop
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2014-04-16 16:58:53 +02:00 |
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Jip J. Dekker
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8cf307127a
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Merge branch 'hotfix/1-searchable'
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2014-04-16 16:57:43 +02:00 |
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Jip J. Dekker
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ab2a3fdc08
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typo!
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2014-04-16 16:57:27 +02:00 |
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Jip J. Dekker
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f0d10902b5
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Searchable can't be a list!
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2014-04-16 16:57:08 +02:00 |
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Jip J. Dekker
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efacc08a3d
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Merge branch 'develop' into feature/Wikipedia
Conflicts:
Fourmi.py
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2014-04-16 16:49:03 +02:00 |
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Bas Vb
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6f82b117c9
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new function to clean up the datapoints
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2014-04-16 16:23:33 +02:00 |
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Rob tB
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9a78e186bc
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chemspider parser now grabs data from ExtendedCompoundInfo() of chemspider API (no units)
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2014-04-16 16:22:47 +02:00 |
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Bas Vb
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74aa446f40
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minor edits (comments etc.)
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2014-04-16 15:27:36 +02:00 |
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Rob tB
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caf7d3df4e
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fixed ExtendedCompoundInfo url to have csid parameter instead of query
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2014-04-16 15:27:10 +02:00 |
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Bas Vb
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34c3a8b4d6
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remove empty data points
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2014-04-16 15:22:47 +02:00 |
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Rob tB
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2d314aee6a
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created stub to parse ExtendedCompoundInfo from ChemSpider MassSpec API
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2014-04-16 15:21:33 +02:00 |
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Rob tB
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7fc980befe
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chemspider should now only generate new Requests for wikipedia links from 'expert confirmed' synonyms
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2014-04-16 15:02:37 +02:00 |
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Bas Vb
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ce3105f3c1
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went to a general loop over all values, this way getting all elements from the Wikipedia infobox (except for those with a colspan, because these mess up)
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2014-04-16 14:56:32 +02:00 |
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Rob tB
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87282fc572
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new properties in parse_properties now use dictionary syntax
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2014-04-16 14:26:27 +02:00 |
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Rob tB
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93a6f098a9
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log messages are now DEBUG instead of WARNING
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2014-04-16 13:28:59 +02:00 |
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Bas Vb
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f1280dd66d
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get value not list from xpath
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2014-04-16 13:23:50 +02:00 |
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Rob tB
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c1b5f810cb
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unused Result properties are now empty string instead of None
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2014-04-16 11:53:59 +02:00 |
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Jip J. Dekker
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92a74de9e0
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Added the include and exclude options.
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2014-04-16 11:17:48 +02:00 |
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Bas Vb
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d99548e3b6
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Added density, molar entropy and heat capacity
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2014-04-16 11:14:02 +02:00 |
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Jip J. Dekker
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e0e64bd65a
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Implemented source exclusion
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2014-04-16 11:03:59 +02:00 |
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Jip J. Dekker
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d823c105e6
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Implemented source inclusion
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2014-04-16 10:48:29 +02:00 |
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Bas Vb
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d778050f36
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Able to parse the weblinks to other databases, one example done
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2014-04-16 10:37:57 +02:00 |
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Jip J. Dekker
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7b57d86178
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Removed redundant source loader
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2014-04-16 10:36:46 +02:00 |
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Jip J. Dekker
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9dcb150356
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Merge branch 'develop' into feature/chemspider-parser
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2014-04-16 10:24:52 +02:00 |
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Jip J. Dekker
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a06bf643f1
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Made sourceloader a class and implemented the listing of all sources
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2014-04-16 10:14:29 +02:00 |
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Jip J. Dekker
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8b7cfac2de
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Added an new command to the CLI, implementation will follow.
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2014-04-16 09:33:07 +02:00 |
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Bas Vb
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cd1637b0fe
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Both Boiling point and melting point are now parsed from chemical Wikipedia pages, there's one error about different types of attributes in the Result-items, this needs to be fixed by cleaning up the retrieved data.
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2014-04-16 00:50:50 +02:00 |
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Bas Vb
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1ca3593ae1
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Parse is runnable now.
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2014-04-16 00:35:19 +02:00 |
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Jip J. Dekker
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6799a1a956
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Merge branch 'release/v0.1.0' into develop
1-searchable
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2014-04-15 19:49:07 +02:00 |
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Jip J. Dekker
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2d5e39de81
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Merge branch 'release/v0.1.0'
v0.1.0
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2014-04-15 19:48:55 +02:00 |
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Jip J. Dekker
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972e5da0d2
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Removed debug code and typos.
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2014-04-15 19:48:27 +02:00 |
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Jip J. Dekker
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d770f79a7a
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Bumped version number
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2014-04-15 19:46:10 +02:00 |
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Jip J. Dekker
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878d8e5efb
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Merge branch 'feature/CLI' into develop
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2014-04-15 19:44:41 +02:00 |
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Jip J. Dekker
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61ca2520e3
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Added feed export functionality
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2014-04-15 19:40:54 +02:00 |
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Jip J. Dekker
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e65d3a6898
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Added the options for the Feed exports
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2014-04-15 18:57:51 +02:00 |
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RTB
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8e46762a9e
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fix: if no experimental data, return predicted acd/labs data instead of None
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2014-04-15 18:56:38 +02:00 |
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Jip J. Dekker
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ffb3861034
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Search for single compound, filename should be lowercase
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2014-04-15 18:49:30 +02:00 |
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Jip J. Dekker
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91ed053ac5
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Stopped log from interfering with STDOUT
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2014-04-15 18:17:35 +02:00 |
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Jip J. Dekker
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a4dd6e1835
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Made logging work
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2014-04-14 21:31:20 +02:00 |
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Jip J. Dekker
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2ad33080c6
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First setup of the CLI, decided on a structure
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2014-04-14 20:45:07 +02:00 |
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Jip J. Dekker
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ee01e697d3
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Added Docopt as an CLI framework
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2014-04-14 20:21:41 +02:00 |
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RTB
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ff0eb309da
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ChemSpider parser now handles the Predicted - ACD/Labs tab for scraping properties
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2014-04-14 17:27:02 +02:00 |
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RTB
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2ae3ac9c51
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added parse_properties to scrape the Experimental Physico-chemical Properties table if it exists
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2014-04-14 13:09:14 +02:00 |
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RTB
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31a63829f8
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chemspider parser now makes new synonym requests with the scraped synonyms
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2014-04-14 01:23:15 +02:00 |
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RTB
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e95df8eaa3
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ignore_list now contains the intended names instead of Result objects
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2014-04-14 01:20:24 +02:00 |
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RTB
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564dbc3292
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added ignore list to new_compound_request for synonyms found by chemspider parser
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2014-04-14 00:33:25 +02:00 |
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RTB
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b1b969a16c
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corrected usage of __spider variable
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2014-04-14 00:28:47 +02:00 |
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RTB
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0ad98905e3
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added scraping for wikipedia links in synonym tab
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2014-04-13 23:35:25 +02:00 |
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