Joint Decision-Making Model Based on Consensus Modeling Technology for the Prediction of Drug-Induced Liver Injury

Table 5

Top 10 descriptors with a significant difference between DILI positives and DILI negatives.

No.	Name	Description	VPM	VNM	DI
1	MATS3c	Moran autocorrelation—lag 3/weighted by charges	−3.72e-3	6.88e-3	52.32
2	ALogP	Ghose–Crippen LogKow	3.74e-3	−0.435	2.77
3	ATSC1p	Centered Broto–Moreau autocorrelation—lag 1/weighted by polarizabilities	−0.068	8.86e-3	1.94
4	MATS2c	Moran autocorrelation—lag 2/weighted by charges	0.021	6.62e-3	0.92
5	MATS2i	Moran autocorrelation—lag 2/weighted by first ionization potential	0.021	0.037	0.60
6	MATS7s	Moran autocorrelation—lag 7/weighted by I-state	−0.035	−0.06	0.56
7	AATSC6v	Average centered Broto–Moreau autocorrelation—lag 6/weighted by van der Waals volumes	−0.954	−1.474	0.45
8	AATSC2v	Average centered Broto–Moreau autocorrelation—lag 2/weighted by van der Waals volumes	1.262	1.900	0.43
9	ATSC4i	Average centered Broto–Moreau autocorrelation—lag 4/weighted by first ionization potential	−9.774	−13.831	0.36
10	AATSC1p	Average centered Broto–Moreau autocorrelation—lag 1/weighted by polarizabilities	−2.00e-3	−1.51e-3	0.32