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Updated: Jul 19, 2025

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对分子图形结构的等价生成框架 共同设计

Zaixi Zhang1,2, Qi Liu1,2, Chee-Kong Lee3

  • 1Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China Hefei Anhui 230026 China qiliuql@ustc.edu.cn.

Chemical science
|August 11, 2023
PubMed
概括

一个新的框架MolCode集成了2D和3D分子数据,以改进新的分子设计. 这种方法增强了有效的,多样化的分子的生成,具有药物发现和材料科学所需的特性.

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