Table 6:

Summary of datasets used for each model.

Type	Count	Total Actives	Training count	Validation count	Test count	Training Actives	Validation Actives	Test Actives
CPE	736	368	532	102	102	266	51	51
cytotox	1662	877	1163	249	250	581	125	125
AlphaLisa	1260	630	882	189	189	441	94	95
TruHit	1658	829	1161	248	249	580	124	125
ACE2	206	103	144	31	31	72	15	16
3CL	442	221	309	66	67	154	33	34