Table 1 Datasets used to generate predictive DILI models
From: Prediction and mechanistic analysis of drug-induced liver injury (DILI) based on chemical structure
Dataset Name | Data samples | Binary class | ||||
|---|---|---|---|---|---|---|
vLessConcern (n = 260) | vMostConcern (n = 174) | vNoConcern (n = 227) | SIDER (n = 262) | n (DILI) | n (NoDILI) | |
DILIrank (−vLessConcern) | – | DILI | NoDILI | – | 174 | 227 |
DILIrank | DILI | DILI | NoDILI | – | 434 | 227 |
DILIrank (+SIDER) | DILI | DILI | NoDILI | NoDILI | 434 | 489 |