Data-Driven Discovery of Polar Organic Cocrystals: Integration of Machine Learning and Automated Screening

H Huiyu Liu (School of Physical Science and Technology) M Muyao Yu (School of Physical Science and Technology) Z Zikai Xie (State Key Laboratory of Precision and Intelligent Chemistry, Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science) X Xiangyu Zhang Y Yiru Sun (School of Physical Science and Technology) Y Yuyang Ling (School of Physical Science and Technology) Z Zezhao Xu (School of Physical Science and Technology) Z Zidi Wang (School of Physical Science and Technology) N Na Yu (State Key Laboratory of Quantum Functional Materials, School of Physical Science and Technology) Y Yue-Biao Zhang (School of Physical Science and Technology & Shanghai Key Laboratory of High-Resolution Electron Microscopy) P Ping Huai (Center for Transformative Science) Q Qisheng Wang (Shanghai Advanced Research Institute, Chinese Academy of Sciences) X Xuming He (School of Information Science and Technology) L Linjiang Chen (State Key Laboratory of Precision and Intelligent Chemistry, Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science) W Wei-Hong Zhu (Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Center, Frontiers Science Center for Materiobiology and Dynamic Chemistry, Institute of Fine Chemicals, School of Chemistry and Molecular Engineering) S Shan Jiang

Article Details

Volume / Issue Vol. 147, Issue 49
Published December 10, 2025
Pages 45523-45535
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (16)

H

Huiyu Liu

School of Physical Science and Technology

M

Muyao Yu

School of Physical Science and Technology

Z

Zikai Xie

State Key Laboratory of Precision and Intelligent Chemistry, Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science

X

Xiangyu Zhang

Y

Yiru Sun

School of Physical Science and Technology

Y

Yuyang Ling

School of Physical Science and Technology

Z

Zezhao Xu

School of Physical Science and Technology

Z

Zidi Wang

School of Physical Science and Technology

N

Na Yu

State Key Laboratory of Quantum Functional Materials, School of Physical Science and Technology

Y

Yue-Biao Zhang

School of Physical Science and Technology & Shanghai Key Laboratory of High-Resolution Electron Microscopy

P

Ping Huai

Center for Transformative Science

Q

Qisheng Wang

Shanghai Advanced Research Institute, Chinese Academy of Sciences

X

Xuming He

School of Information Science and Technology

L

Linjiang Chen

State Key Laboratory of Precision and Intelligent Chemistry, Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science

W

Wei-Hong Zhu

Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Center, Frontiers Science Center for Materiobiology and Dynamic Chemistry, Institute of Fine Chemicals, School of Chemistry and Molecular Engineering

S

Shan Jiang