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Machine Learning in Unmanned Systems for Chemical Synthesis

Chemical synthesis is state-of-the-art, and, therefore, it is generally based on chemical intuition or experience of researchers. The upgraded paradigm that incorporates automation technology and machine learning (ML) algorithms has recently been merged into almost every subdiscipline of chemical sc...

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Autores principales: Wang, Guoqiang, Wu, Xuefei, Xin, Bo, Gu, Xu, Wang, Gaobo, Zhang, Yong, Zhao, Jiabao, Cheng, Xu, Chen, Chunlin, Ma, Jing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004533/
https://www.ncbi.nlm.nih.gov/pubmed/36903478
http://dx.doi.org/10.3390/molecules28052232
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author Wang, Guoqiang
Wu, Xuefei
Xin, Bo
Gu, Xu
Wang, Gaobo
Zhang, Yong
Zhao, Jiabao
Cheng, Xu
Chen, Chunlin
Ma, Jing
author_facet Wang, Guoqiang
Wu, Xuefei
Xin, Bo
Gu, Xu
Wang, Gaobo
Zhang, Yong
Zhao, Jiabao
Cheng, Xu
Chen, Chunlin
Ma, Jing
author_sort Wang, Guoqiang
collection PubMed
description Chemical synthesis is state-of-the-art, and, therefore, it is generally based on chemical intuition or experience of researchers. The upgraded paradigm that incorporates automation technology and machine learning (ML) algorithms has recently been merged into almost every subdiscipline of chemical science, from material discovery to catalyst/reaction design to synthetic route planning, which often takes the form of unmanned systems. The ML algorithms and their application scenarios in unmanned systems for chemical synthesis were presented. The prospects for strengthening the connection between reaction pathway exploration and the existing automatic reaction platform and solutions for improving autonomation through information extraction, robots, computer vision, and intelligent scheduling were proposed.
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spelling pubmed-100045332023-03-11 Machine Learning in Unmanned Systems for Chemical Synthesis Wang, Guoqiang Wu, Xuefei Xin, Bo Gu, Xu Wang, Gaobo Zhang, Yong Zhao, Jiabao Cheng, Xu Chen, Chunlin Ma, Jing Molecules Review Chemical synthesis is state-of-the-art, and, therefore, it is generally based on chemical intuition or experience of researchers. The upgraded paradigm that incorporates automation technology and machine learning (ML) algorithms has recently been merged into almost every subdiscipline of chemical science, from material discovery to catalyst/reaction design to synthetic route planning, which often takes the form of unmanned systems. The ML algorithms and their application scenarios in unmanned systems for chemical synthesis were presented. The prospects for strengthening the connection between reaction pathway exploration and the existing automatic reaction platform and solutions for improving autonomation through information extraction, robots, computer vision, and intelligent scheduling were proposed. MDPI 2023-02-27 /pmc/articles/PMC10004533/ /pubmed/36903478 http://dx.doi.org/10.3390/molecules28052232 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Wang, Guoqiang
Wu, Xuefei
Xin, Bo
Gu, Xu
Wang, Gaobo
Zhang, Yong
Zhao, Jiabao
Cheng, Xu
Chen, Chunlin
Ma, Jing
Machine Learning in Unmanned Systems for Chemical Synthesis
title Machine Learning in Unmanned Systems for Chemical Synthesis
title_full Machine Learning in Unmanned Systems for Chemical Synthesis
title_fullStr Machine Learning in Unmanned Systems for Chemical Synthesis
title_full_unstemmed Machine Learning in Unmanned Systems for Chemical Synthesis
title_short Machine Learning in Unmanned Systems for Chemical Synthesis
title_sort machine learning in unmanned systems for chemical synthesis
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004533/
https://www.ncbi.nlm.nih.gov/pubmed/36903478
http://dx.doi.org/10.3390/molecules28052232
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