Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

Table 7 Number of Actives, inactives, and missing datapoints in the classification sets used in the study

Classification set	Number of actives	Missing datapoints	Number of inactives
MUV	398	1,066,216	199,359
HIV	1232	0	31,669
BBBP	1341	0	290
Tox21	4617	12,821	57,730
SIDER	17,440	0	13,367

ISSN: 1758-2946