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Experimental database of optical properties of organic compounds
Experimental databases on the optical properties of organic chromophores are important for the implementation of data-driven chemistry using machine learning. Herein, we present a series of experimental data including various optical properties such as the first absorption and emission maximum wavel...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7478979/ https://www.ncbi.nlm.nih.gov/pubmed/32901041 http://dx.doi.org/10.1038/s41597-020-00634-8 |
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author | Joung, Joonyoung F. Han, Minhi Jeong, Minseok Park, Sungnam |
author_facet | Joung, Joonyoung F. Han, Minhi Jeong, Minseok Park, Sungnam |
author_sort | Joung, Joonyoung F. |
collection | PubMed |
description | Experimental databases on the optical properties of organic chromophores are important for the implementation of data-driven chemistry using machine learning. Herein, we present a series of experimental data including various optical properties such as the first absorption and emission maximum wavelengths and their bandwidths (full width at half maximum), extinction coefficient, photoluminescence quantum yield, and fluorescence lifetime. A database of 20,236 data points was developed by collecting the optical properties of organic compounds already reported in the literature. A dataset of 7,016 unique organic chromophores in 365 solvents or in solid state is available in CSV format. |
format | Online Article Text |
id | pubmed-7478979 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-74789792020-09-21 Experimental database of optical properties of organic compounds Joung, Joonyoung F. Han, Minhi Jeong, Minseok Park, Sungnam Sci Data Data Descriptor Experimental databases on the optical properties of organic chromophores are important for the implementation of data-driven chemistry using machine learning. Herein, we present a series of experimental data including various optical properties such as the first absorption and emission maximum wavelengths and their bandwidths (full width at half maximum), extinction coefficient, photoluminescence quantum yield, and fluorescence lifetime. A database of 20,236 data points was developed by collecting the optical properties of organic compounds already reported in the literature. A dataset of 7,016 unique organic chromophores in 365 solvents or in solid state is available in CSV format. Nature Publishing Group UK 2020-09-08 /pmc/articles/PMC7478979/ /pubmed/32901041 http://dx.doi.org/10.1038/s41597-020-00634-8 Text en © The Author(s) 2020 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/. The Creative Commons Public Domain Dedication waiver http://creativecommons.org/publicdomain/zero/1.0/ applies to the metadata files associated with this article. |
spellingShingle | Data Descriptor Joung, Joonyoung F. Han, Minhi Jeong, Minseok Park, Sungnam Experimental database of optical properties of organic compounds |
title | Experimental database of optical properties of organic compounds |
title_full | Experimental database of optical properties of organic compounds |
title_fullStr | Experimental database of optical properties of organic compounds |
title_full_unstemmed | Experimental database of optical properties of organic compounds |
title_short | Experimental database of optical properties of organic compounds |
title_sort | experimental database of optical properties of organic compounds |
topic | Data Descriptor |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7478979/ https://www.ncbi.nlm.nih.gov/pubmed/32901041 http://dx.doi.org/10.1038/s41597-020-00634-8 |
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