Skip to main content

Table 1 Statistics of the data sets used as reference ligand library and for external validation sets

From: In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion

  Data Sources Target Actives (or drugs) Pairs Ref.
Reference library BindingDB 533 179807 246053 [40]
External validation sets DrugBank 455 711 7917 [41]
  TTD 255 476 1084 [43]