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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration

Fig. 5

Searched synthetic routes for cetirizine with different template sets. The number of the routes for each chemical reaction network is counted at several time points. The labels size 50, size 100, and size 500 respectively indicate that the top 50, 100, and 500 reaction templates have been utilized. Counting is aborted when the total number of routes exceeds 1,500,000. The dotted line at the bottom indicates that the first synthetic route has been discovered

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