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Journal of Cheminformatics

Table 3 Evaluation of models modifying the presence of halogen moieties and the number of aromatic rings

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

	Halogen moieties		Aromatic rings
	\(X \rightarrow G(X)\)	\(Y \rightarrow F(Y)\)	\(X \rightarrow G(X)\)	\(Y \rightarrow F(Y)\)
Success rate	0.6429	0.7161	0.5342	0.4216
Non-identity	0.9345	0.9574	0.9082	0.8899
Uniqueness	0.9952	0.9953	0.9957	0.9954

Success rate is the fraction of times when a desired modification occurs. Non-identity is the fraction of times when the generated molecule is different from the starting one. Uniqueness is the fraction of unique molecules in the set of generated molecules

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