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Description:

We propose a machine-readable knowledge representation of PoLyInfo, the polymer database of National Institute for Materials Science (NIMS) of Japan with more than half a million data points. Through the use of the Shape Expressions (ShEx) language, PoLyInfo was made entirely machine-readable, allowing the formulation of polymer chemistry concepts. In particular, the following tasks were accomplished: (1) the relationships between homopolymer–copolymer–polymer blends were described at the molecular level, replicating the essential data management of PoLyInfo; (2) the relationships between composites, compounds, and neat resins were formulated, and the positions of additives, such as fillers, were clarified; (3) the synthesis process was made machine-readable, and the roles of materials, such as catalysts and initiators, were described according to international standards; (4) a post-synthesis forming process was formulated, and its relationship with the final polymer sample was concretized; and (5) all properties in PoLyInfo were modeled and semantically related to the measurement conditions.

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: PoLyInfo, ontology, schema, RDF, ShEx, SPARQL, linked data

Date published: 2024-12-31

Publisher: Informa UK Limited

Journal:

• Science and Technology of Advanced Materials: Methods (ISSN: 27660400) vol. 4 issue. 1

Funding:

• MEXT Program: Data Creation and Utilization-Type Material Research and Development Project JPMXP1122714694
• Council for Science, Technology and Innovation (CSTI), Cross-ministerial Strategic Innovation Promotion Program (SIP), the 3rd period of SIP

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1080/27660400.2024.2354651

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Updated at: 2024-07-11 16:30:21 +0900

Published on MDR: 2024-07-11 16:30:21 +0900