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Journal of Cheminformatics
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Table 3 Performance of the DRD2 activity model
From:
Molecular de-novo design through deep reinforcement learning
Set
Training
Validation
Test
Accuracy
1.00
0.98
0.98
ROC-AUC
1.00
0.99
1.00
Precision
1.00
0.96
0.97
Recall
1.00
0.73
0.82
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