Learning on topological surface and geometric structure for 3D molecular generation

已完结 20 由 qy 发布于 2025/7/30 14:23:56

DOI:10.1038/s43588-023-00530-2
作者：Odin Zhang, Tianyue Wang, Gaoqi Weng, Dejun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Pe
文献类型：期刊论文
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Nature

Abstract：Highly effective de novo design is a grand challenge of computer-aided drug discovery. Practical structure-specific three-dimensional molecule generations have started to emerge in recent ye

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