Retrosynthesis Planning
A classic problem in cheminformatics whose goal is to derive synthesis routes for target molecules from commercially available starting materials through a sequence of chemical reactions, typically modeled as an AND/OR search tree.
Timeline (last 90 days)
Retrosynthesis planning is typically modeled as an AND/OR search tree, where OR nodes represent the target molecule and the different reactions that may produce it, and AND nodes represent a specific reaction whose reactant child nodes must all be solvable simultaneously.
Traditional retrosynthesis planning methods typically use the verifier to evaluate the entire route only after the search ends, so erroneous decisions cannot be corrected in time during the search process.
All Facts (2)
Retrosynthesis planning is typically modeled as an AND/OR search tree, where OR nodes represent the target molecule and the different reactions that may produce it, and AND nodes represent a specific reaction whose reactant child nodes must all be solvable simultaneously.
50%UnverifiedTraditional retrosynthesis planning methods typically use the verifier to evaluate the entire route only after the search ends, so erroneous decisions cannot be corrected in time during the search process.
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