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Table 2 Physicochemical transformations—dataset sizes

From: Mol-CycleGAN: a generative model for molecular optimization

DatasetConstrained optimizationUnconstrained optimizationActivity
\(X_{\text {train}}\)80,00080,0004500
\(X_{\text {test}}\)800800333
\(Y_{\text {train}}\)80,00024,9462511
\(Y_{\text {test}}\)