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Table 6 WOMBAT 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

Renin inhibitors

474

0.592

0.109

Protein kinase C inhibitors

142

0.565

0.277

Matrix metalloprotease inhibitors

694

0.444

0.148

Angiotensin II AT1 antagonists

724

0.443

0.131

HIV protease inhibitors

1128

0.442

0.146

Substance P antagonists

558

0.427

0.127

Thrombin inhibitors

421

0.418

0.144

5HT1A antagonists

592

0.399

0.134

Factor Xa inhibitors

842

0.394

0.124

5HT3 antagonists

220

0.377

0.175

Acetylcholine esterase inhibitors

503

0.373

0.155

D2 antagonists

910

0.367

0.116

Phosphodiesterase inhibitors

596

0.359

0.136

Cyclooxygenase inhibitors

965

0.324

0.139

  1. Details as for Table 3.