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Table 4 Evaluation of models performing the bioisosteric substitution

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

  Single step 10 intermediate steps
\(X \rightarrow G(X)\) \(Y \rightarrow F(Y)\) \(X \rightarrow G(X)\) \(Y \rightarrow F(Y)\)
Success rate 0.216 0.450 0.514 0.776
Diversity 0.998 0.996 0.998 1.000
Non-identity 1.000 1.000 0.596 0.816