ASBase: The universal database for aggregate science
Junyi Gong,
Wanjun Gong,
Bo Wu,
Haoran Wang,
Wei He,
Zhongyang Dai,
Yangzhong Li,
Yong Liu,
Zhiming Wang,
Xiaojun Tuo,
Jacky W.Y. Lam,
Zijie Qiu,
Zheng Zhao,
Ben Zhong Tang
Affiliations
Junyi Gong
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Wanjun Gong
AIE‐Institute State Key Laboratory of Luminescence Materials and Devices Center of Aggregation‐induced Emission Key Laboratory of Luminescence from Molecular Aggregates of Guangdong Province South China University of Technology (SCUT) Guangzhou China
Bo Wu
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Haoran Wang
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Wei He
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Zhongyang Dai
High Performance Computing Department National Supercomputing Center in Shenzhen Shenzhen China
Yangzhong Li
High Performance Computing Department National Supercomputing Center in Shenzhen Shenzhen China
Yong Liu
AIE‐Institute State Key Laboratory of Luminescence Materials and Devices Center of Aggregation‐induced Emission Key Laboratory of Luminescence from Molecular Aggregates of Guangdong Province South China University of Technology (SCUT) Guangzhou China
Zhiming Wang
AIE‐Institute State Key Laboratory of Luminescence Materials and Devices Center of Aggregation‐induced Emission Key Laboratory of Luminescence from Molecular Aggregates of Guangdong Province South China University of Technology (SCUT) Guangzhou China
Xiaojun Tuo
AIE‐Institute State Key Laboratory of Luminescence Materials and Devices Center of Aggregation‐induced Emission Key Laboratory of Luminescence from Molecular Aggregates of Guangdong Province South China University of Technology (SCUT) Guangzhou China
Jacky W.Y. Lam
Department of Chemistry Hong Kong University of Science and Technology Kowloon Hong Kong China
Zijie Qiu
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Zheng Zhao
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Ben Zhong Tang
Shenzhen Institute of Aggregate Science and Technology School of Science and Engineering The Chinese University of Hong Kong Shenzhen Guangdong China
Abstract This paper reports the first universal and versatile database on aggregate materials for the field of aggregate science research. At the current stage, the database (http://119.91.135.188:8080/) contains over 1000 entries of organic aggregate material systems (mainly luminescent systems at the current stage) with a unique data structure which is designed particularly for aggregate materials and containing the photophysics and physicochemical properties of the compounds in different statuses of aggregation, including dilute solution form, pristine solid‐state, stable crystalline, and nanoaggregates formed in solvents. The web‐based interface of the database provided functions to index, search, manipulate, fetch and deposit data entries. In addition, a background calculation service optimizes the chemical structure of new entries on different levels of accuracies. The database also provided background API for interactive developments of prediction or regression models based on machine‐learning algorithms.
