A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor Article Swipe

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YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.1038/s41597-023-02897-3

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 (Δ E 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.

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Fluorescence Chemistry Database Computer science Physics Quantum mechanics

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Type: article
Language: en
Landing Page: https://doi.org/10.1038/s41597-023-02897-3
PDF: https://www.nature.com/articles/s41597-023-02897-3.pdf
OA Status: gold
Cited By: 14
References: 30
Related Works: 10
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DOI: https://doi.org/10.1038/s41597-023-02897-3

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Title: A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor

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Type: article

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Language: en

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Publication year: 2024

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Publication date: 2024-01-17

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Authors: Dingyun Huang, Jacqueline M. Cole

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Landing page: https://doi.org/10.1038/s41597-023-02897-3

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PDF URL: https://www.nature.com/articles/s41597-023-02897-3.pdf

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OA URL: https://www.nature.com/articles/s41597-023-02897-3.pdf

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Concepts: Fluorescence, Chemistry, Database, Computer science, Physics, Quantum mechanics

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Cited by: 14

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abstract_inverted_index.knowledge,	130
abstract_inverted_index.scientific	15
abstract_inverted_index.subsidiary	53
abstract_inverted_index.text-mined	111
abstract_inverted_index.wavelength	67
abstract_inverted_index.fluorescent	7
abstract_inverted_index.literature.	16
abstract_inverted_index.properties:	64
abstract_inverted_index.represented	44
abstract_inverted_index.applications	157
abstract_inverted_index.experimental	154
abstract_inverted_index.automatically	11
abstract_inverted_index.computational	156
abstract_inverted_index.publications.	146
abstract_inverted_index.auto-generated	140
abstract_inverted_index.chemistry-aware	100
abstract_inverted_index.singlet-triplet	76
abstract_inverted_index.photoluminescence	72
abstract_inverted_index.ChemDataExtractor,	98
abstract_inverted_index.natural-language-processing	101
cited_by_percentile_year.max	100
cited_by_percentile_year.min	94
countries_distinct_count	1
institutions_distinct_count	2
citation_normalized_percentile.value	0.91180763
citation_normalized_percentile.is_in_top_1_percent	False
citation_normalized_percentile.is_in_top_10_percent	True