A Novel Approach for a Toxicity Prediction Model of Environmental Pollutants by Using a Quantitative Structure-Activity Relationship Method Based on Toxicogenomics

Table 4

List of chemicals down-regulating IL-8 gene expression and prediction results.

Chemical	Dexamethasone	β-carotene	Theaflavin	Isohelenin
Molecular formula	C22H29FO5	C40H56	C29H24O12	C15H20O2
Function	anti-inflammatory	antioxidant	antioxidant	NF-κB inhibitor
Structural formula
WTPT3	14.579576	0	28.937641	5.316734
MOLC4	9.749151	13.275419	10.128259	6.233736
V5CH	0.058926	0	0	0.034021
SYMM2	0.464286	0.35	0.243902	0.705882
S3C	3.613039	3.962761	3.804071	1.887041
CRB_LEADL	2	10	2	0
OPREA_RULEI	1	0	0	1
Calculation result	−3.49670161	5.19910895	−11.54207732	0.27315436
Prediction	upregulation	downregulation	upregulation	downregulation
Previous report (Reference)	downregulation; [35]	downregulation; [36]	downregulation; [37]	downregulation; [41]