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A database of refractive indices and dielectric constants auto-generated using ChemDataExtractor.
Jiuyang Zhao1, Jacqueline M Cole2,3,4
1Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge, CB3 0HE, UK.
Scientific Data
|May 3, 2022
Summary
A new database of optical properties, including refractive indices and dielectric constants, has been auto-generated from scientific papers. This resource accelerates data-driven discovery of novel optical materials.
Area of Science:
- Materials Science
- Computational Chemistry
- Optics
Background:
- Data-driven approaches are crucial for advancing optical materials discovery.
- Extracting optical properties from scientific literature is challenging and time-consuming.
- Existing databases may not cover the breadth of optical properties found in recent research.
Purpose of the Study:
- To create a comprehensive, auto-generated database of optical properties.
- To facilitate data-driven research in optical materials science.
- To provide public access to a large repository of refractive indices and dielectric constants.
Main Methods:
- Utilized ChemDataExtractor, a natural language processing tool, for automated data extraction.
- Processed a corpus of 388,461 scientific papers.
- Compiled a database containing 49,076 refractive index and 60,804 dielectric constant records for 11,054 unique chemicals.
Main Results:
- Successfully generated the first auto-extracted database of optical properties from a large scientific literature corpus.
- The database covers linear optical properties reported over the last 30 years.
- A web interface has been developed for easy database access and searching.
Conclusions:
- The auto-generated optical property database significantly accelerates the search for material properties.
- This resource empowers data-driven design and prediction of new optical materials.
- Public availability of this database promotes further research and innovation in optical materials.

