FFMDFPA: A FAIRification Framework for Materials Data with No-Code Flexible Semi-Structured Parser and Application Programming Interfaces

The FAIR Data Principles are guidelines to ensure Findability, Accessibility, Interoperability, and Reusability of digital resources, which are essential to accelerate data-driven materials science. Despite the development and growing adoption of the FAIR principles, appropriate implementation solut...

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Bibliographic Details
Published in:Journal of chemical information and modeling Vol. 63; no. 16; p. 4986
Main Authors: He, Bing, Gong, Zhuming, Avdeev, Maxim, Shi, Siqi
Format: Journal Article
Language:English
Published: United States 28.08.2023
ISSN:1549-960X, 1549-960X
Online Access:Get more information
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Summary:The FAIR Data Principles are guidelines to ensure Findability, Accessibility, Interoperability, and Reusability of digital resources, which are essential to accelerate data-driven materials science. Despite the development and growing adoption of the FAIR principles, appropriate implementation solutions and software to make data FAIR are still sparse, particularly in standardization of heterogeneous data and subsequent data access. Here, we introduce a FAIRification Framework for Materials Data with No-Code Flexible Semi-Structured Parser and API (FFMDFPA) (API, application programming interface) for raw data processing. Using a template-based parser, FFMDFPA can extract and transform semistructured data in various text formats, providing the flexibility to extend data manipulation without coding. Additionally, FFMDFPA provides a standardized API with efficient query syntax that facilitates seamless data sharing. Taking various text files generated by computational software as examples, we demonstrate the potential utility of FFMDFPA. This work offers important insights toward efficient utilization and reuse of materials data, and the data semantic manipulation implemented in the parser and API can be extended to textual data, which has implications for future data FAIRification.
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ISSN:1549-960X
1549-960X
DOI:10.1021/acs.jcim.3c00836