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Table 5 MDDR-HET activity classes used in the virtual screening experiments.

From: Evaluation of a Bayesian inference network for ligand-based virtual screening

Activity class

Active molecules

Pairwise similarity

Adenosine (A1) agonists

88

0.524

0.124

Adenosine (A2) agonists

71

0.536

0.137

Renin inhibitors

1130

0.459

0.119

CCK agonists

79

0.452

0.099

Monocyclic beta-lactams

76

0.549

0.084

Cephalosporins

1312

0.501

0.098

Carbacephems

73

0.487

0.099

Carbapenems

896

0.457

0.124

Tribactams

74

0.548

0.150

Vitamin D analogues

279

0.574

0.105

  1. Details as for Table 3.