Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge
收藏Figshare2023-06-16 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/Reaction_performance_prediction_with_an_extrapolative_and_interpretable_graph_model_based_on_chemical_knowledge/22578247
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资源简介：
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.
提供机构：
Hong, Xin; Zhang, Cheng; Zhang, Shuo-Qing; Xu, Li-Cheng; Li, Shu-Wen
创建时间：
2023-06-16
