Optimization Method of an Antibreast Cancer Drug Candidate Based on Machine Learning

Table 3

Qualitative prediction accuracy of biological activity.

ADMET	Accuracy	Precision	Recall	F1 score
Caco-2	0.8830	0.8158	0.3735	0.5124
CYP3A4	0.8230	0.8286	0.7436	0.7838
hERG	0.7660	0.7091	0.5147	0.6142
HOB	0.7979	0.5263	0.1333	0.2127
MN	0.9149	0.9444	0.7907	0.8608