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Table 2 Data set characteristics.

From: Large scale study of multiple-molecule queries

Name

Size

Reference

muv-chaperone

30

[25]

muv-gpcr-1

30

[25]

muv-gpcr-2

30

[25]

muv-gpcr-3

30

[25]

muv-kinase-1

30

[25]

muv-kinase-2

30

[25]

muv-kinase-3

30

[25]

muv-nr-1

30

[25]

muv-nr-2

30

[25]

muv-ppi-1

30

[25]

muv-ppi-2

30

[25]

muv-ppi-3

30

[25]

muv-protease-1

30

[25]

muv-protease-2

30

[25]

muv-protease-3

30

[25]

muv-rnase

30

[25]

muv-rtk

30

[25]

nci-hiv

415

[23]

stahl-cox2

125

[21]

stahl-estrogen

53

[21]

stahl-gelatinase

40

[21]

stahl-neuraminidase

17

[21]

stahl-p38-map-kinase

24

[21]

stahl-thrombin

67

[21]

suth-benzodiazepine

404

[22]

suth-dhfr

722

[22]

suth-estrogen

361

[22]

suth-steroid

28

[22]

wom-alr2

42

[20]

wom-androgen

36

[20]

wom-cdk2

152

[20]

wom-cox2

76

[20]

wom-d2

334

[20]

wom-egfr

74

[20]

wom-estrogen

64

[20]

wom-fxa

107

[20]

wom-hiv1rt

99

[20]

wom-impdh

49

[20]

wom-p38-map-kinase

59

[20]

wom-pde5

88

[20]

wom-ppar-gamma

27

[20]

  1. Each data set is given an abbreviated name and is listed with the the number of molecules and its reference. In the case of the the NCI HIV screen (nci-hiv) we use only the 415 confirmed actives and discard the inactive and moderately-active compounds.