Topology-enhanced molecular graph representation for anti-breast cancer drug selection

BMC Bioinformatics

Table 6 Ablation study on the pooling operation in the readout stage of ABCD-GGNN for ADMET prediction

Pooling operation	MN	HOB	hERG	CYP3A4	Caco-2
Average pooling	0.9173	0.8586	0.8840	0.9329	0.8751
Max pooling	0.9086	0.8514	0.8792	0.9245	0.8684
Fusion	0.9255	0.8637	0.8914	0.9474	0.8828

ISSN: 1471-2105