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

Table 4 MDDR-HOM activity classes used in the virtual screening experiments.

Activity class	Active molecules	Pairwise similarity
Muscarinic (M1) agonists	848	0.206	0.098
NMDA receptor antagonists	1311	0.199	0.090
Nitric oxide synthase inhibitors	377	0.189	0.086
Dopamine beta-hydroxylase inhibitors	95	0.229	0.076
Aldose reductase inhibitors	882	0.232	0.096
Reverse transcriptase inhibitors	519	0.218	0.095
Aromatase inhibitors	513	0.229	0.117
Cyclooxygenase inhibitors	636	0.220	0.107
Phospholipase A2 inhibitors	704	0.224	0.111
Lipoxygenase inhibitors	2555	0.224	0.110

ISSN: 1758-2946