Autonomous platforms for data-driven organic synthesis

Achieving autonomous multi-step synthesis of novel molecular structures in chemical discovery processes is a goal shared by many researchers. In this Comment, we discuss key considerations of what an ideal platform may look like and the apparent state of the art. While most hardware challenges can b...

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Detalles Bibliográficos
Autores principales: Gao, Wenhao, Raghavan, Priyanka, Coley, Connor W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Comment
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8885738/
https://www.ncbi.nlm.nih.gov/pubmed/35228543
http://dx.doi.org/10.1038/s41467-022-28736-4
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author Gao, Wenhao
Raghavan, Priyanka
Coley, Connor W.
author_facet Gao, Wenhao
Raghavan, Priyanka
Coley, Connor W.
author_sort Gao, Wenhao
collection PubMed
description Achieving autonomous multi-step synthesis of novel molecular structures in chemical discovery processes is a goal shared by many researchers. In this Comment, we discuss key considerations of what an ideal platform may look like and the apparent state of the art. While most hardware challenges can be overcome with clever engineering, other challenges will require advances in both algorithms and data curation.
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spelling pubmed-88857382022-03-17 Autonomous platforms for data-driven organic synthesis Gao, Wenhao Raghavan, Priyanka Coley, Connor W. Nat Commun Comment Achieving autonomous multi-step synthesis of novel molecular structures in chemical discovery processes is a goal shared by many researchers. In this Comment, we discuss key considerations of what an ideal platform may look like and the apparent state of the art. While most hardware challenges can be overcome with clever engineering, other challenges will require advances in both algorithms and data curation. Nature Publishing Group UK 2022-02-28 /pmc/articles/PMC8885738/ /pubmed/35228543 http://dx.doi.org/10.1038/s41467-022-28736-4 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Comment
Gao, Wenhao
Raghavan, Priyanka
Coley, Connor W.
Autonomous platforms for data-driven organic synthesis
title Autonomous platforms for data-driven organic synthesis
title_full Autonomous platforms for data-driven organic synthesis
title_fullStr Autonomous platforms for data-driven organic synthesis
title_full_unstemmed Autonomous platforms for data-driven organic synthesis
title_short Autonomous platforms for data-driven organic synthesis
title_sort autonomous platforms for data-driven organic synthesis
topic Comment
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8885738/
https://www.ncbi.nlm.nih.gov/pubmed/35228543
http://dx.doi.org/10.1038/s41467-022-28736-4
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AT raghavanpriyanka autonomousplatformsfordatadrivenorganicsynthesis
AT coleyconnorw autonomousplatformsfordatadrivenorganicsynthesis

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