Jip J. Dekker
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0da2d74e2c
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PEP-8 indentation for multi-line statements
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2014-04-22 18:46:49 +02:00 |
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Jip J. Dekker
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7a1e99605b
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Uniform TODO tags, indentation faults.
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2014-04-22 18:40:14 +02:00 |
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Bas Vb
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b0146cdce8
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Added regular expressions to clean up temperature data
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2014-04-22 09:46:19 +02:00 |
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RTB
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63fb9f4733
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added comment to parse_searchrequest and added optional todo for extract()[0] usage
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2014-04-18 17:33:00 +02:00 |
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RTB
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3c5dbc44dc
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added comments for chemspider parse_extendedinfo
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2014-04-18 17:14:19 +02:00 |
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RTB
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2ac6d1711d
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added comments for chemspider new_synonym
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2014-04-18 17:11:04 +02:00 |
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RTB
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3862bfb7d8
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added comments for ChemSpider class, parse_properties, and parse_synonyms
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2014-04-18 16:54:30 +02:00 |
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RTB
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f18f23dfc6
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chemspider new_compound_request is now PEP-8 compliant
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2014-04-18 16:20:47 +02:00 |
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RTB
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074fbdf9e2
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changed source for properties by parse_extendedinfo to 'ChemSpider ExtendedCompoundInfo'
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2014-04-18 16:13:44 +02:00 |
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RTB
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fa22356cb2
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chemspider parse_extendedinfo is now PEP-8 compliant
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2014-04-18 16:12:07 +02:00 |
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RTB
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479182d77e
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chemspider new_synonym is now PEP-8 compliant
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2014-04-18 16:07:06 +02:00 |
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RTB
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319e028717
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chemspider parse_properties a bit more PEP-8 compliant
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2014-04-18 15:55:04 +02:00 |
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RTB
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9aae8d2d07
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chemspider parse_properties is now PEP-8 compliant, hopefully
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2014-04-18 15:38:07 +02:00 |
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RTB
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c1c7cfc117
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edited global strings to be consistent (PEP-8)
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2014-04-18 15:12:22 +02:00 |
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RTB
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f2cacb79eb
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properties from Predicted - ACD/Labs tab now include conditions from value variable
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2014-04-18 15:03:06 +02:00 |
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RTB
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3bf8dccf18
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properties from Predicted - ACD/Labs tab now include conditions from attribute variable
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2014-04-18 14:59:56 +02:00 |
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RTB
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cd8a64816f
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removed colon at end of attributes in Experimental and Predicted ACD/labs tabs
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2014-04-18 14:10:53 +02:00 |
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RTB
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22c765b6e5
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simplified setting of Results for Predicted ACD/Labs tab
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2014-04-18 14:08:48 +02:00 |
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RTB
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75d248e6cf
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changed for loop in parse_properties to use zip instead of enumerate
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2014-04-18 13:45:32 +02:00 |
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RTB
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bf4a5bb41f
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added scraping of synonyms labeled as 'synonym_cn'
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2014-04-18 13:36:33 +02:00 |
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RTB
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a4a21f2578
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changed default reliability from empty string to Unknown as per UML design
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2014-04-18 13:19:05 +02:00 |
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RTB
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9389af99ba
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removed manual Requests for wikipedia URLs as wikipedia parser handles those through synonyms
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2014-04-18 13:17:24 +02:00 |
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RTB
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ae21fa7c67
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chemspider now scrapes for reference data on synonyms
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2014-04-18 13:16:22 +02:00 |
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RTB
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119d48890d
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fixed conditional for emitting synonyms, it compiles again
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2014-04-18 12:14:54 +02:00 |
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RTB
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04751b6670
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chemspider parser now only emits synonyms labeled as 'English'
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2014-04-17 22:47:43 +02:00 |
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RTB
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ce5eeb56a6
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added scraping of synonym language
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2014-04-17 22:37:37 +02:00 |
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RTB
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4f2c046c9c
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rewrote parse_synonyms and new_synonym to use an internal dictionary structure
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2014-04-17 22:06:45 +02:00 |
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RTB
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2e95d35283
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modified parse_synonyms and new_synonym to include a Selector for future edits
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2014-04-17 21:30:53 +02:00 |
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Bas Vb
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be63315ca2
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regex
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2014-04-16 17:01:35 +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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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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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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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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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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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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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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