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An all-round AI-Chemist with a scientific mind

The realization of automated chemical experiments by robots unveiled the prelude to an artificial intelligence (AI) laboratory. Several AI-based systems or robots with specific chemical skills have been demonstrated, but conducting all-round scientific research remains challenging. Here, we present...

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Detalles Bibliográficos
Autores principales: Zhu, Qing, Zhang, Fei, Huang, Yan, Xiao, Hengyu, Zhao, LuYuan, Zhang, XuChun, Song, Tao, Tang, XinSheng, Li, Xiang, He, Guo, Chong, BaoChen, Zhou, JunYi, Zhang, YiHan, Zhang, Baicheng, Cao, JiaQi, Luo, Man, Wang, Song, Ye, GuiLin, Zhang, WanJun, Chen, Xin, Cong, Shuang, Zhou, Donglai, Li, Huirong, Li, Jialei, Zou, Gang, Shang, WeiWei, Jiang, Jun, Luo, Yi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9674120/
https://www.ncbi.nlm.nih.gov/pubmed/36415316
http://dx.doi.org/10.1093/nsr/nwac190
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author Zhu, Qing
Zhang, Fei
Huang, Yan
Xiao, Hengyu
Zhao, LuYuan
Zhang, XuChun
Song, Tao
Tang, XinSheng
Li, Xiang
He, Guo
Chong, BaoChen
Zhou, JunYi
Zhang, YiHan
Zhang, Baicheng
Cao, JiaQi
Luo, Man
Wang, Song
Ye, GuiLin
Zhang, WanJun
Chen, Xin
Cong, Shuang
Zhou, Donglai
Li, Huirong
Li, Jialei
Zou, Gang
Shang, WeiWei
Jiang, Jun
Luo, Yi
author_facet Zhu, Qing
Zhang, Fei
Huang, Yan
Xiao, Hengyu
Zhao, LuYuan
Zhang, XuChun
Song, Tao
Tang, XinSheng
Li, Xiang
He, Guo
Chong, BaoChen
Zhou, JunYi
Zhang, YiHan
Zhang, Baicheng
Cao, JiaQi
Luo, Man
Wang, Song
Ye, GuiLin
Zhang, WanJun
Chen, Xin
Cong, Shuang
Zhou, Donglai
Li, Huirong
Li, Jialei
Zou, Gang
Shang, WeiWei
Jiang, Jun
Luo, Yi
author_sort Zhu, Qing
collection PubMed
description The realization of automated chemical experiments by robots unveiled the prelude to an artificial intelligence (AI) laboratory. Several AI-based systems or robots with specific chemical skills have been demonstrated, but conducting all-round scientific research remains challenging. Here, we present an all-round AI-Chemist equipped with scientific data intelligence that is capable of performing basic tasks generally required in chemical research. Based on a service platform, the AI-Chemist is able to automatically read the literatures from a cloud database and propose experimental plans accordingly. It can control a mobile robot in-house or online to automatically execute the complete experimental process on 14 workstations, including synthesis, characterization and performance tests. The experimental data can be simultaneously analysed by the computational brain of the AI-Chemist through machine learning and Bayesian optimization, allowing a new hypothesis for the next iteration to be proposed. The competence of the AI-Chemist has been scrutinized by three different chemical tasks. In the future, the more advanced all-round AI-Chemists equipped with scientific data intelligence may cause changes to the landscape of the chemical laboratory.
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spelling pubmed-96741202022-11-21 An all-round AI-Chemist with a scientific mind Zhu, Qing Zhang, Fei Huang, Yan Xiao, Hengyu Zhao, LuYuan Zhang, XuChun Song, Tao Tang, XinSheng Li, Xiang He, Guo Chong, BaoChen Zhou, JunYi Zhang, YiHan Zhang, Baicheng Cao, JiaQi Luo, Man Wang, Song Ye, GuiLin Zhang, WanJun Chen, Xin Cong, Shuang Zhou, Donglai Li, Huirong Li, Jialei Zou, Gang Shang, WeiWei Jiang, Jun Luo, Yi Natl Sci Rev Research Article The realization of automated chemical experiments by robots unveiled the prelude to an artificial intelligence (AI) laboratory. Several AI-based systems or robots with specific chemical skills have been demonstrated, but conducting all-round scientific research remains challenging. Here, we present an all-round AI-Chemist equipped with scientific data intelligence that is capable of performing basic tasks generally required in chemical research. Based on a service platform, the AI-Chemist is able to automatically read the literatures from a cloud database and propose experimental plans accordingly. It can control a mobile robot in-house or online to automatically execute the complete experimental process on 14 workstations, including synthesis, characterization and performance tests. The experimental data can be simultaneously analysed by the computational brain of the AI-Chemist through machine learning and Bayesian optimization, allowing a new hypothesis for the next iteration to be proposed. The competence of the AI-Chemist has been scrutinized by three different chemical tasks. In the future, the more advanced all-round AI-Chemists equipped with scientific data intelligence may cause changes to the landscape of the chemical laboratory. Oxford University Press 2022-09-08 /pmc/articles/PMC9674120/ /pubmed/36415316 http://dx.doi.org/10.1093/nsr/nwac190 Text en © The Author(s) 2022. Published by Oxford University Press on behalf of China Science Publishing & Media Ltd. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Zhu, Qing
Zhang, Fei
Huang, Yan
Xiao, Hengyu
Zhao, LuYuan
Zhang, XuChun
Song, Tao
Tang, XinSheng
Li, Xiang
He, Guo
Chong, BaoChen
Zhou, JunYi
Zhang, YiHan
Zhang, Baicheng
Cao, JiaQi
Luo, Man
Wang, Song
Ye, GuiLin
Zhang, WanJun
Chen, Xin
Cong, Shuang
Zhou, Donglai
Li, Huirong
Li, Jialei
Zou, Gang
Shang, WeiWei
Jiang, Jun
Luo, Yi
An all-round AI-Chemist with a scientific mind
title An all-round AI-Chemist with a scientific mind
title_full An all-round AI-Chemist with a scientific mind
title_fullStr An all-round AI-Chemist with a scientific mind
title_full_unstemmed An all-round AI-Chemist with a scientific mind
title_short An all-round AI-Chemist with a scientific mind
title_sort all-round ai-chemist with a scientific mind
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9674120/
https://www.ncbi.nlm.nih.gov/pubmed/36415316
http://dx.doi.org/10.1093/nsr/nwac190
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