A self-conformation-aware pre-training framework for molecular property prediction with substructure interpretability
J
JianBo Qiao
J
Junru Jin
D
Ding Wang
S
Saisai Teng
J
Junyu Zhang
X
Xuetong Yang
Y
Yuhang Liu
(School of Materials Science and Engineering)
Y
Yu Wang
L
Lizhen Cui
Q
Quan Zou
R
Ran Su
(Hebei Key Laboratory of Photoelectric Control on Surface and Interface, College of Science)
L
Leyi Wei
Article Details
Journal
Nature Communications
Volume / Issue
Vol. 16, Issue 1
Published
May 12, 2025
ISSN
2041-1723
Publisher
Nature Portfolio
Authors (12)
J
JianBo Qiao
J
Junru Jin
D
Ding Wang
S
Saisai Teng
J
Junyu Zhang
X
Xuetong Yang
Y
Yuhang Liu
School of Materials Science and Engineering
Y
Yu Wang
L
Lizhen Cui
Q
Quan Zou
R
Ran Su
Hebei Key Laboratory of Photoelectric Control on Surface and Interface, College of Science
L
Leyi Wei
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