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Fig. 8 | Journal of Cheminformatics

Fig. 8

From: An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

Fig. 8

The average score of generated SMILES sequences during the training processes of deep reinforcement learning with different ε, β and Gφ. The pre-trained model on the ZINC set (a) and the fine-tuned model on the A2AR set (b) were used as Gφ. After 200 epochs, the average scores for all training processes converged and whole of these models were well trained

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Journal of Cheminformatics

ISSN: 1758-2946

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