ZINC15 drugbank curation

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

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