NIMS polymer database PoLyInfo (II): machine-readable standardization of polymer knowledge expression
| Autor: | Masashi Ishii, Takuro Ito, Koichi Sakamoto |
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| Jazyk: | angličtina |
| Rok vydání: | 2024 |
| Předmět: | |
| Zdroj: | Science and Technology of Advanced Materials: Methods, Vol 4, Iss 1 (2024) |
| Druh dokumentu: | article |
| ISSN: | 27660400 2766-0400 |
| DOI: | 10.1080/27660400.2024.2354651 |
| Popis: | Herein, 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. |
| Databáze: | Directory of Open Access Journals |
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