. 2019 Jul 30;59(8):3370–3388. doi: 10.1021/acs.jcim.9b00237

Table 5. Details on Internal Amgen Data Sets^a.

category	data set	no. of tasks	task type	no. of compounds	metric
ADME	rPPB	1	regression	1,441	RMSE
physical chemistry	solubility	3	regression	18,007	RMSE
ADME	RLM	1	regression	64,862	RMSE
ADME	hPXR	2	regression	22,188	RMSE
ADME	hPXR (class)	2	classification	22,188	ROC-AUC

Note: ADME stands for absorption, distribution, metabolism, and excretion.

Table 5. Details on Internal Amgen Data Setsa.