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Diffusion-based generative drug-like molecular editing with chemical natural language

Jianmin Wang Peng Zhou Zixu Wang Wei Long Yangyang Chen Kyoung Tai No Dongsheng Ouyang Jiashun Mao Xiangxiang Zeng

药物分析学报（英文）2025，Vol.15Issue(6)：1215-1225,11.

药物分析学报（英文）2025，Vol.15Issue(6)：1215-1225,11.DOI:10.1016/j.jpha.2024.101137

Diffusion-based generative drug-like molecular editing with chemical natural language

Jianmin Wang ¹Peng Zhou ²Zixu Wang ³Wei Long ⁴Yangyang Chen ³Kyoung Tai No ¹Dongsheng Ouyang ⁵Jiashun Mao ⁶Xiangxiang Zeng²

作者信息

1. Department of Integrative Biotechnology,Yonsei University,Incheon,21983,South Korea
2. College of Computer Science and Electronic Engineering,Hunan University,Changsha,410082,China
3. Department of Computer Science,University of Tsukuba,Tsukuba,3058577,Japan
4. Hunan Key Laboratory for Bioanalysis of Complex Matrix Samples,Changsha Duxact Biotech Co.,Ltd.,Changsha,410001,China
5. Hunan Key Laboratory for Bioanalysis of Complex Matrix Samples,Changsha Duxact Biotech Co.,Ltd.,Changsha,410001,China||Department of Clinical Pharmacology,Xiangya Hospital,Central South University,Changsha,410008,China||Institute of Clinical Pharmacology,Central South University,Hunan Key Laboratory of Pharmacogenetics,Changsha,410078,China
6. School of Medical Information and Engineering,Southwest Medical University,Luzhou,Sichuan,646000,China
折叠

摘要

关键词

Diffusion model/IUPAC/Molecular generative model/Chemical natural language/Transformer

Key words

Diffusion model/IUPAC/Molecular generative model/Chemical natural language/Transformer

引用本文复制引用

Jianmin Wang,Peng Zhou,Zixu Wang,Wei Long,Yangyang Chen,Kyoung Tai No,Dongsheng Ouyang,Jiashun Mao,Xiangxiang Zeng..Diffusion-based generative drug-like molecular editing with chemical natural language[J].药物分析学报（英文）,2025,15(6):1215-1225,11.

基金项目

This research was supported by the Yonsei University graduate school Department of Integrative Biotechnology. （）

药物分析学报（英文）

ISSN：2095-1779

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