Optimal Modeling of Anti-Breast Cancer Candidate Drugs Based on Graph Model Feature Selection

Table 8

Solution results of bioactivity optimization model for inhibition of ER.

Characteristic variable	MDEC-23	10
	LipoaffinityIndex	12
	minsssN	0
	maxHsOH	0.5
	maxssO	6.5
	minHsOH	0.6
	C1SP2	0
	BCUTc-1 l	-0.36
	MLFER_A	1
	VC-5	0.3
	nHBAcc	3
	minHBint5	3
	ATSc3	-0.1
	MDEC-33	12.9
	TopoPSA	80
Biological activity	IC50_nM	34.6
Inhibitory bioactivity	pIC50	7.46