Improving route development using convergent retrosynthesis planning

Abstract Retrosynthesis consists of recursively breaking down a target molecule to produce a synthesis route composed of readily accessible building blocks. In recent years, computer-aided synthesis planning methods have allowed a greater exploration of potential synthesis routes, combining state-of...

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Bibliographic Details
Main Authors: Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
Format: Article
Language:English
Published: BMC 2025-02-01
Series:Journal of Cheminformatics
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Online Access:https://doi.org/10.1186/s13321-025-00953-1
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