ZINC15 drugbank curation: Difference between revisions
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== loading drugbank == | |||
Here are the steps to capture a new drugbank.xml file and parse it out, load it, and update all tables. | Here are the steps to capture a new drugbank.xml file and parse it out, load it, and update all tables. | ||
* teague's script | |||
* load | |||
* featurescron.csh | |||
== loading hmdb == | |||
== loading iuphar == | |||
== spotchecking == | |||
Check for drugs that are endogenous (and thus could be misannotated) | |||
http://zinc15.docking.org/catalogs/hmdbendo/substances/?catalogs-any-short_name=hmdbdrug | |||
Check for stereochemical ambiguity | |||
Check for molecules in fda approved and not in | |||
[[Category: | [[Category:Curator]] |
Latest revision as of 22:03, 28 September 2015
loading drugbank
Here are the steps to capture a new drugbank.xml file and parse it out, load it, and update all tables.
- teague's script
- load
- featurescron.csh
loading hmdb
loading iuphar
spotchecking
Check for drugs that are endogenous (and thus could be misannotated)
http://zinc15.docking.org/catalogs/hmdbendo/substances/?catalogs-any-short_name=hmdbdrug
Check for stereochemical ambiguity
Check for molecules in fda approved and not in