,

Chengcheng Xu1, Chen Zeng1, Xi Yang1

  • 1Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, Nanjing, China.

Molecular informatics
|August 5, 2025
PubMed
概括

我们开发了一种用于药物设计的新型化合物构造模型 (CCMol),将生成预训练变压器 (GPT) 和遗传算法 (GA) 结合起来. CCMol产生多样化,有效的分子结构,改善早期药物发现.

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