Finding the K best synthesis plans

Finding the K best synthesis plans

Abstract In synthesis planning, the goal is to synthesize a target molecule from available starting materials, possibly optimizing costs such as price or environmental impact of the process. Current algorithmic approaches to synthesis planning are usually based on selecting a bond set and finding a...

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Bibliographic Details
Main Authors: Rolf Fagerberg, Christoph Flamm, Rojin Kianian, Daniel Merkle, Peter F. Stadler
Format: Article
Language:English
Published: BMC 2018-04-01
Series:Journal of Cheminformatics
Subjects:
Synthesis planning
Bond set
Hypergraph
Hyperpath
Algorithm
Convergency
Online Access:http://link.springer.com/article/10.1186/s13321-018-0273-z

Internet

http://link.springer.com/article/10.1186/s13321-018-0273-z

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