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- Title
Text-mined dataset of inorganic materials synthesis recipes.
- Authors
Kononova, Olga; Huo, Haoyan; He, Tanjin; Rong, Ziqin; Botari, Tiago; Sun, Wenhao; Tshitoyan, Vahe; Ceder, Gerbrand
- Abstract
Materials discovery has become significantly facilitated and accelerated by high-throughput ab-initio computations. This ability to rapidly design interesting novel compounds has displaced the materials innovation bottleneck to the development of synthesis routes for the desired material. As there is no a fundamental theory for materials synthesis, one might attempt a data-driven approach for predicting inorganic materials synthesis, but this is impeded by the lack of a comprehensive database containing synthesis processes. To overcome this limitation, we have generated a dataset of "codified recipes" for solid-state synthesis automatically extracted from scientific publications. The dataset consists of 19,488 synthesis entries retrieved from 53,538 solid-state synthesis paragraphs by using text mining and natural language processing approaches. Every entry contains information about target material, starting compounds, operations used and their conditions, as well as the balanced chemical equation of the synthesis reaction. The dataset is publicly available and can be used for data mining of various aspects of inorganic materials synthesis. Measurement(s) solid-state synthesis data Technology Type(s) natural language processing Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.9906608
- Subjects
TEXT mining; NATURAL language processing; MACHINE learning; TECHNOLOGICAL innovations; ACQUISITION of scientific publications
- Publication
Scientific Data, 2019, Vol 6, Issue 1, pN.PAG
- ISSN
2052-4463
- Publication type
Article
- DOI
10.1038/s41597-019-0224-1