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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Molecular de-novo design through deep reinforcement learning

Fig. 5

How the model thinks while generating the molecule on the right. Conditional probability over the next token as a function of previously chosen ones according to the model. On the y-axis is shown the probability distribution for the character to be choosen at the current step, and on the x-axis is shown the character that in this instance was sampled. E = EOS

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