Table 1 Numbers of positive and negative samples used for the evaluation
Dataset name | Positive samples | Negative samples |
|---|---|---|
MUTAG | 125 | 63 |
PTC-MM | 129 | 207 |
PTC-FM | 143 | 206 |
PTC-MR | 152 | 192 |
PTC-FR | 121 | 230 |
BBB | 276 | 139 |
BIO | 159 | 106 |
BZR | 157 | 149 |
COX2 | 148 | 155 |
DHFR | 124 | 269 |
ER | 181 | 265 |