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Fig. 20 | Journal of Cheminformatics

Fig. 20

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

Fig. 20

Density plots of Tanimoto similarities and predicted activity. X denotes the dataset of inactive compounds, and G(X) is the set of compounds with optimized activity. In a X is compared with the optimized compounds G(X) and also with random molecules from ZINC-250K. b shows predicted activities before and after the optimization

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