Exploring the macrocyclic chemical space for heuristic drug design with deep learning models.

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Title: Exploring the macrocyclic chemical space for heuristic drug design with deep learning models.
Authors: Hu, Feng1 (AUTHOR), Jia, Xiaotong1 (AUTHOR), Liao, Wenjie1 (AUTHOR), Chen, Ziqi1 (AUTHOR), Bi, Hongjie1 (AUTHOR), Ge, Huan1 (AUTHOR), Liu, Dandan1 (AUTHOR), Zhang, Rongrong1 (AUTHOR), Hu, Yuting1 (AUTHOR), Mei, Wenyi1 (AUTHOR), Zhao, Zhenjiang1 (AUTHOR), Zhang, Kai2 (AUTHOR) kzhang@cs.ecnu.edu.cn, Zhu, Lili1 (AUTHOR) zhulfl@ecust.edu.cn, Diao, Yanyan2 (AUTHOR) diaoyan1025@126.com, Li, Honglin1,2 (AUTHOR) hlli@ecust.edu.cn
Source: Communications Chemistry. 10/7/2025, Vol. 8 Issue 1, p1-11. 11p.
Database: Academic Search Ultimate
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ISSN:23993669
DOI:10.1038/s42004-025-01686-w