A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor
Abstract A database of thermally activated delayed fluorescent (TADF) molecules was automatically generated from the scientific literature. It consists of 25,482 data records with an overall precision of 82%. Among these, 5,349 records have chemical names in the form of SMILES strings which are repr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-01-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-023-02897-3 |
| _version_ | 1797350114607497216 |
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| author | Dingyun Huang Jacqueline M. Cole |
| author_facet | Dingyun Huang Jacqueline M. Cole |
| author_sort | Dingyun Huang |
| collection | DOAJ |
| description | Abstract A database of thermally activated delayed fluorescent (TADF) molecules was automatically generated from the scientific literature. It consists of 25,482 data records with an overall precision of 82%. Among these, 5,349 records have chemical names in the form of SMILES strings which are represented with 91% accuracy; these are grouped in a subsidiary database. Each data record contains one of the following four properties: maximum emission wavelength (λ EM), photoluminescence quantum yield (PLQY), singlet-triplet energy splitting (ΔE ST), and delayed lifetime (τ D). The databases were created through text mining using ChemDataExtractor, a chemistry-aware natural-language-processing toolkit, which has been adapted for TADF research. The text-mined corpus consisted of 2,733 papers from the Royal Society of Chemistry and Elsevier. To the best of our knowledge, these databases are the first databases that have been auto-generated for TADF molecules from existing publications. The databases have been publicly released for experimental and computational applications in the TADF research field. |
| first_indexed | 2024-03-08T12:40:09Z |
| format | Article |
| id | doaj.art-2f44d4910f5646838c342631d4f01acf |
| institution | Directory Open Access Journal |
| issn | 2052-4463 |
| language | English |
| last_indexed | 2024-03-08T12:40:09Z |
| publishDate | 2024-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Data |
| spelling | doaj.art-2f44d4910f5646838c342631d4f01acf2024-01-21T12:10:15ZengNature PortfolioScientific Data2052-44632024-01-011111910.1038/s41597-023-02897-3A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractorDingyun Huang0Jacqueline M. Cole1Cavendish Laboratory, University of Cambridge, J. J. Thomson AvenueCavendish Laboratory, University of Cambridge, J. J. Thomson AvenueAbstract A database of thermally activated delayed fluorescent (TADF) molecules was automatically generated from the scientific literature. It consists of 25,482 data records with an overall precision of 82%. Among these, 5,349 records have chemical names in the form of SMILES strings which are represented with 91% accuracy; these are grouped in a subsidiary database. Each data record contains one of the following four properties: maximum emission wavelength (λ EM), photoluminescence quantum yield (PLQY), singlet-triplet energy splitting (ΔE ST), and delayed lifetime (τ D). The databases were created through text mining using ChemDataExtractor, a chemistry-aware natural-language-processing toolkit, which has been adapted for TADF research. The text-mined corpus consisted of 2,733 papers from the Royal Society of Chemistry and Elsevier. To the best of our knowledge, these databases are the first databases that have been auto-generated for TADF molecules from existing publications. The databases have been publicly released for experimental and computational applications in the TADF research field.https://doi.org/10.1038/s41597-023-02897-3 |
| spellingShingle | Dingyun Huang Jacqueline M. Cole A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor Scientific Data |
| title | A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor |
| title_full | A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor |
| title_fullStr | A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor |
| title_full_unstemmed | A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor |
| title_short | A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor |
| title_sort | database of thermally activated delayed fluorescent molecules auto generated from scientific literature with chemdataextractor |
| url | https://doi.org/10.1038/s41597-023-02897-3 |
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