Table 1 Overview of the data sets employed in this work
Type of interference | Training set | Test set | ||
|---|---|---|---|---|
# positive compounds | # negative compounds | # positive compounds | # negative compounds | |
Thiol reactivity (TR) | 811 | 3035 | 198 | 764 |
Redox reactivity (RR) | 113 | 3781 | 29 | 945 |
Firefly luciferase inhibition (FI) | 90 | 3834 | 28 | 953 |
Nanoluciferase inhibition (NI) | 82 | 3836 | 15 | 965 |