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Fig. 2 | Journal of Cheminformatics

Fig. 2

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

Fig. 2

AND/OR representation of synthetic routes. a Example of a single synthetic route for cetirizine. Retrosynthetic computation is performed recursively from the topmost node (target) until it reaches to the starting materials at the bottom. b The synthetic route can be represented as an AND/OR tree in which the OR and AND nodes denote molecules and reactions, respectively. c A chemical reaction network ideally consists of all possible synthetic routes to a target (red sphere) molecule

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