Activity-cliff awareness enables robust graph learning for molecular property prediction
C
Chao Cui
X
Xiaorui Su
Z
Zaixi Zhang
A
Alejandro Velez-Arce
J
Jianmin Wang
(Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), State Key Laboratory of Advanced Chemical Power Sources, College of Chemistry)
X
Xiangcheng Shi
Y
Yanbin Zhang
J
Jie Wu
Y
Yu Zong Chen
M
Marinka Zitnik
W
Wanxiang Shen
Article Details
Journal
Nature Communications
Volume / Issue
Vol. 1, Issue 1
Published
July 31, 2026
ISSN
2041-1723
Publisher
Nature Portfolio
Authors (11)
C
Chao Cui
X
Xiaorui Su
Z
Zaixi Zhang
A
Alejandro Velez-Arce
J
Jianmin Wang
Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), State Key Laboratory of Advanced Chemical Power Sources, College of Chemistry
X
Xiangcheng Shi
Y
Yanbin Zhang
J
Jie Wu
Y
Yu Zong Chen
M
Marinka Zitnik
W
Wanxiang Shen
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