1. Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern
- Author
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Berrak Özer, Martin A. Karlsen, Zachary Thatcher, Ling Lan, Brian McMahon, Peter R. Strickland, Simon P. Westrip, Koh S. Sang, David G. Billing, Dorthe B. Ravnsbæk, and Simon J. L. Billinge
- Subjects
FOS: Computer and information sciences ,Condensed Matter - Materials Science ,Databases, Factual ,DATABASE ,Publications ,powder diffraction ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,Computer Science - Digital Libraries ,Condensed Matter Physics ,Biochemistry ,Inorganic Chemistry ,PHASES ,CIF ,Structural Biology ,machine-readable scientific literature ,FILE ,data similarity ,CRYSTAL-STRUCTURE ,General Materials Science ,Digital Libraries (cs.DL) ,data-driven literature search ,Powders ,Physical and Theoretical Chemistry ,Powder Diffraction - Abstract
We investigate a prototype application for machine-readable literature. The program is called "pyDataRecognition" and serves as an example of a data-driven literature search, where the literature search query is an experimental data-set provided by the user. The user uploads a powder pattern together with the radiation wavelength. The program compares the user data to a database of existing powder patterns associated with published papers and produces a rank ordered according to their similarity score. The program returns the digital object identifier (doi) and full reference of top ranked papers together with a stack plot of the user data alongside the top five database entries. The paper describes the approach and explores successes and challenges., Comment: 27 pages, 4 figures
- Published
- 2022
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