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Table 4 Prediction accuracy by GPCR family for the second experiment

From: Virtual screening of GPCRs: An in silico chemogenomics approach

Family\K tar

Dirac

multitask

hierarchy

BP

PBP

Rhodopsin peptide receptors (18)

50.0

50.6

66.7

74.0

65.3

Rhodopsin amine receptors (35)

50.0

56.0

73.7

74.0

73.1

Rhodospin other receptors (17)

50.0

50.2

86.5

87.6

85.5

Metabotropic glutamate family (9)

50.0

79.7

93.9

87.2

91.3

Secretin family (1)

50.0

100.0

100.0

50.0

100.0

  1. Mean prediction accuracy for each GPCR family for the second experiment with the 2D Tanimoto ligand kernel and various target kernels. The numbers in bracket are the numbers of receptors considered in the experiment for each family. BP is the binding pocket kernel and PBP the poly binding pocket kernel.