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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.