Table 2. Partitioning Schemes Before (Top) and After (Bottom) the Application of the AD^a.

data set	#	P–	P+	IR
TS	431	351	80	4.4
VS	114	90	24	3.7
ES1	133	112	21	5.3
ES2	20	11	9	1.2
within the AD
VS	112	88	24	3.6
ES1	117	99	18	5.5
ES2	20	11	9	1.2

^aFor PLD-DB, the number of noninducers (P−) and inducers (P+) chemicals is reported for the training set (TS), validation set (VS), largest (ES1), and smallest (ES2) external sets. Notably, the total number of chemicals (#) is also reported.