Table 2

Overview of the usage of the different datasets for training or prediction

casetrain AEuse AEtrain FNNpredict
1|$S$|---
2|$D$|---
3--|$S$|-
4-|$S$||$S$|-
5-|$D$||$S$|-
6-|$D$||$SIDER$|-
7-|$D$||$Tox21$|-
8-|$D$|-|$D$|
casetrain AEuse AEtrain FNNpredict
1|$S$|---
2|$D$|---
3--|$S$|-
4-|$S$||$S$|-
5-|$D$||$S$|-
6-|$D$||$SIDER$|-
7-|$D$||$Tox21$|-
8-|$D$|-|$D$|
Table 2

Overview of the usage of the different datasets for training or prediction

casetrain AEuse AEtrain FNNpredict
1|$S$|---
2|$D$|---
3--|$S$|-
4-|$S$||$S$|-
5-|$D$||$S$|-
6-|$D$||$SIDER$|-
7-|$D$||$Tox21$|-
8-|$D$|-|$D$|
casetrain AEuse AEtrain FNNpredict
1|$S$|---
2|$D$|---
3--|$S$|-
4-|$S$||$S$|-
5-|$D$||$S$|-
6-|$D$||$SIDER$|-
7-|$D$||$Tox21$|-
8-|$D$|-|$D$|
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