Table 3.

Toxicity prediction of top 3 compounds.

Classification	Target	UEFS 428		UEFS 137		UEFS 99
		Prediction	Probability	Prediction	Probability	Prediction	Probability
Organ toxicity	Hepatotoxicity	-	0.75	-	0.85	-	0.71
Toxicity end points	Carcinogenicity	Active	0.51	-	0.61	-	0.67
	Immunotoxicity	-	0.96	Active	0.99	Active	0.97
	Mutagenicity	-	0.52	-	0.74	-	0.86
	Cytotoxicity	-	0.61	-	0.76	-	0.76
Tox21-Nuclear receptor signalling pathways	Aryl hydrocarbon Receptor	-	0.9	-	0.97	-	0.98
	Androgen Receptor	-	0.83	-	0.84	-	0.52
	Androgen Receptor Ligand Binding Domain	-	0.9	-	0.88	-	0.52
	Aromatase	-	0.84	-	0.84	-	0.96
	Estrogen Receptor Alpha	-	0.66	-	0.73	Active	0.53
	Estrogen Receptor Ligand Binding Domain	-	0.98	-	0.95	-	0.61
	PPAR-Gamma	-	0.93	-	0.92	-	0.98
Tox21-Stress response pathways	nrf2/ARE	-	0.87	-	0.98	-	0.91
	Heat shock factor response element	-	0.87	-	0.98	-	0.91
	Mitochondrial Membrane Potential	-	0.57	-	0.72	-	0.74
	p53	-	0.8	-	0.83	-	0.94
	ATPase family AAA domain-containing protein 5	-	0.9	-	0.91	-	0.96