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◆ Chemical Science2025-11-03· Chemistry

Highly selective and AI-predictable Se–N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis

Wei Zhou, Yan Wang, Shuning Zhang, Chengwei Zhang, Jiacheng Pang, Shaoneng Hou, Jie Li, Yao Ying, An Su, Peixiang Ma, Hongtao Xu, Wei Hou

原始摘要(英文原文)· Original abstract
value of 72 nM. Furthermore, a machine learning-based model (SeNEx-ML) was established for reaction yield prediction, achieving 80% accuracy in binary classification and 70% balanced accuracy in ternary classification. These results demonstrated that this chemistry serves as a powerful tool to bridge the selenium chemical space with the existing chemical world, offering transformative potential across multidisciplinary fields.
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Highly selective and AI-predictable Se–N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis — 科研速览 Science Skim