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Updated: Feb 10, 2026

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在三重变压器循环逆合成模型中的数据增强

Yves Grandjean1, David Kreutter1, Jean-Louis Reymond1

  • 1Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern Freiestrasse 3 3012 Bern Switzerland jean-louis.reymond@unibe.ch.

Digital discovery
|February 9, 2026
PubMed
概括

研究人员创建了大量虚构化学反应的数据集,以改进计算机辅助合成计划 (CASP). 这一新数据集涵盖了更广泛的化学空间,与现有的USPTO反应数据相比,增强了回复合成模型的性能.

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