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Fig. 12 | Journal of Cheminformatics

Fig. 12

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

Fig. 12

Molecules with the highest improvement of the penalized logP for \(\delta \ge 0.6\). In the top row we show the starting molecules, whereas in the bottom row we show the optimized molecules. Upper row numbers indicate Tanimoto similarities between the starting and the final molecule. The improvement in the score is given below the generated molecules

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