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Journal of Cheminformatics
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Table 8 Activity predictions and statistics for considered datasets
From:
Mol-CycleGAN: a generative model for molecular optimization
ZINC-250K predicted mean activity
0.223
\(X_{\text {test}}\)
predicted mean activity
0.179
\(G(X_{\text {test}})\)
predicted mean activity
0.362
Mean gain in predicted activity
0.182
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