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

doi:10.1002/agt2.263

Aggregate (Feb 2023)

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

DOI: https://doi.org/10.1002/agt2.263
Journal volume & issue: Vol. 4, no. 1
pp. n/a – n/a

Abstract

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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.

Published in Aggregate

ISSN: 2692-4560 (Online)
Publisher: Wiley
Country of publisher: Australia
LCC subjects: Science: Chemistry; Science: Biology (General)
Website: https://onlinelibrary.wiley.com/journal/26924560

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