- data file, a list of (Drugbank target ID, Drugbank drug ID)
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retrieved from DrugBank (Version 2.5) "Small Molecules" Dataset as of January 29, 2009.
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Note: As of January 29, 2009, `small molecules'
dataset in DrugBank version 2.5 contained 4,854 compounds, 4,730 of which had single connected 2D structures, and 4,191
of which had at least one known target (1,166 approved, 3,014 experimental, 284 investigational, 77 illicit, 62 nutraceutical,
and 35 withdrawn compounds with overlap in categories). These 4,191 compounds were linked to 4,362 targets via 11,219
interactions.
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