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Molecule generation for drug design:A graph learning perspective

Nianzu Yang Huaijin Wu Kaipeng Zeng Yang Li Siyuan Bao Junchi Yan

Fundamental Research2026，Vol.6Issue(1)：P.40-52,13.

Fundamental Research2026，Vol.6Issue(1)：P.40-52,13.DOI:10.1016/j.fmre.2024.11.027

Molecule generation for drug design:A graph learning perspective

Nianzu Yang ¹Huaijin Wu ¹Kaipeng Zeng ¹Yang Li ¹Siyuan Bao ²Junchi Yan¹

作者信息

1. School of Artificial Intelligence&Department of Computer Science and Engineering&MoE Lab of AI,Shanghai Jiao Tong University,Shanghai 200240,China
2. Shanghai Pinghe School,Shanghai 201208,China
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摘要

关键词

Drug discovery/Machine learning/Generative models/Graph representation learning/Graph generation

分类

信息技术与安全科学

引用本文复制引用

Nianzu Yang,Huaijin Wu,Kaipeng Zeng,Yang Li,Siyuan Bao,Junchi Yan..Molecule generation for drug design:A graph learning perspective[J].Fundamental Research,2026,6(1):P.40-52,13.

基金项目

supported by National Key Research and De-velopment Program of China(2020AAA0107600) （2020AAA0107600）

the National Nat-ural Science Foundation of China(62222607). （62222607）

Fundamental Research

ISSN：2096-9457

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