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Fig. 3 | Journal of Cheminformatics

Fig. 3

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

Fig. 3

Distribution of penalized logP in ZINC-250K and in the sets used in the task of constrained molecule optimization. Note that the sets \(X_{\text {train}}\) and \(Y_{\text {train}}\) are non-overlapping (they are a random sample from ZINC-250K split by the median). \(X_{\text {test}}\) is the set of 800 molecules from ZINC-250K with the lowest values of penalized logP

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