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

Table 1

List of the descriptors related to IL-8 gene expression.

Descriptor	Abbreviation	Contribution degree	Relationship with IL-8 gene expression
Sum of atom indexes for all heteroatoms	WTPT3	−0.57	upregulation
Path-2 molecular connectivity	MOLC4	0.44	downregulation
5th order chain MC Valence	V5CH	0.31	downregulation
Geometrical symmetry	SYMM2	0.30	downregulation
3rd order cluster MC Simple	S3C	0.19	downregulation
Count of rotatable bonds	CRB_LEADL	−0.15	upregulation
The rule based on Lipinski’s rule	OPERA_RULEI	−0.02	upregulation