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Property distribution of transformer-based and GRU-based generative models. (A) Distribution of the predicted pIC50 value before and after reinforcement learning. (B) Distribution of the maximum Tanimoto similarity between the molecules generated by the two models and BRAF inhibitors. (C) Distribution of the Quantitative estimate of drug-likeness scores and (D) distribution of the synthetic accessibility scores in the two generative models and existing BRAF inhibitors.
