Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments

Table 2

MDDR activity classes for DS2 dataset.

Activity index	Activity class	Active molecules	Pairwise similarity (mean)
07707	Adenosine (A1) agonists	207	0.229
07708	Adenosine (A2) agonists	156	0.305
31420	Renin inhibitors 1	1300	0.290
42710	CCK agonists	111	0.361
64100	Monocyclic-lactams	1346	0.336
64200	Cephalosporins	113	0.322
64220	Carbacephems	1051	0.269
64500	Carbapenems	126	0.260
64350	Tribactams	388	0.305
75755	Vitamin D analogous	455	0.386