Table 1.

Analysis of an external test set of 1,457 compounds, of which 1,222 have been reported to have activity on the CNS (CNS+) and 235 have been reported to lack it (CNS−). Confirming the predictive capability of our models, almost all the compounds with a predicted log BB ≥ 0.3 or between 0.3 and 1 are CNS+, while many compounds with a predicted log BB < −1 are CNS−.

Compounds with predicted log BB ≥ 0.3	[positive model 1]
Compounds with predicted 0.3 > log BB ≥ −1	[positive model 2 minus positive model 1]
Compounds with predicted log BB < −1	[negative model 2 minus positive model 1]