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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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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. |
format | Online Article Text |
id | pubmed-10004533 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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