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Fig. 8 | Journal of Cheminformatics

Fig. 8

From: MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning

Fig. 8

Structures of seed molecules and generated molecules In each row, molecule in the first column is the seed molecule, and generated molecules are shown in row. These molecules are generated by the “Multi” model that replaces seed molecules with generated molecules, with changing replace point at a certain number of steps. The QED score for each molecule is shown under the molecule

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