Skip to main content

Table 2 Results of prediction on entire data sets. Columns 3, 4: results obtained in a simple cross validation. Columns 5, 6: results obtained in a modified cross validation, where subsets contain either all or none of the observations for a compound

From: Integration of human cell lines gene expression and chemical properties of drugs for Drug Induced Liver Injury prediction

   Simple CV Clustered CV
Cell line Number of observations MCC AUC MCC AUC
A375 870 0.43 0.70 0.01 0.57
A549 1335 0.46 0.70 -0.04 0.54
ASC 286 0.27 0.53 -0.04 0.48
HA1E 944 0.32 0.62 0.01 0.56
HCC515 834 0.33 0.58 -0.04 0.50
HPEG2 551 0.30 0.61 -0.01 0.54
HT29 825 0.41 0.71 -0.03 0.60
MCF7 2298 0.52 0.72 -0.06 0.54
NPC 489 0.35 0.63 -0.05 0.56
PC3 1679 0.48 0.69 -0.04 0.54
PHH 284 0.15 0.53 0.00 0.50
SKB 334 0.28 0.62 0.05 0.59
VCAP 1325 0.53 0.72 -0.01 0.57