Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge
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Results of this paper based on dataset of Pd-catalyzed C–N cross coupling reactions between 4-methylaniline and aryl halides published by Doyle and co-workers and the chiral phosphoric acid-catalyzed thiol addition to N-acylimines published by Denmark and co-workers.
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figshare创建时间：
2023-06-16
