Journal of chemical information and modelingNeural NetworksComputerCarbonHydrogenChemistry Techniques
A Graph-to-Sequence Method for C-H Activation Retrosynthesis.
Ruixin Li, Qianlong Li, Xiaojie Zhang, Wei Zhang
Published: 202510.1021/acs.jcim.5c01735
Abstract
C-H activation reactions are widely used in organic synthesis but pose significant challenges for retrosynthesis due to the high bond energy, chemical inertness, and complex regioselectivity of C-H bonds. Traditional models struggle to identify react…
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