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Table 4 Evaluation of models performing the bioisosteric substitution

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

 Single step10 intermediate steps
\(X \rightarrow G(X)\)\(Y \rightarrow F(Y)\)\(X \rightarrow G(X)\)\(Y \rightarrow F(Y)\)
Success rate0.2160.4500.5140.776
Diversity0.9980.9960.9981.000
Non-identity1.0001.0000.5960.816