Table 3 Composition of training and test sets used in the initial study
From: The influence of negative training set size on machine learning-based virtual screening
Protein target | MDDR activity index | Number of actives/inactives | |
|---|---|---|---|
Training set | Test set | ||
5-HT1A | 06235 | 198/100–2000 | 903/99000 |
HIV PR | 71523 | 203/100–2000 | 932/99000 |
Metalloproteinase | 78432 | 144/100–2000 | 644/99000 |