论文标题

Matscie:一种用于生成计算材料科学文献中方法和参数数据库的自动化工具

MatScIE: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature

论文作者

Guha, Souradip, Mullick, Ankan, Agrawal, Jatin, Ram, Swetarekha, Ghui, Samir, Lee, Seung-Cheol, Bhattacharjee, Satadeep, Goyal, Pawan

论文摘要

材料科学领域发表的文章的数量每年都在迅速增长。此相对非结构化的数据源包含大量信息,对其可重复使用性具有限制,因为必须手动提取使用数据进行进一步计算所需的信息。从在线(离线)数据中获取有效且上下文正确的信息非常重要,因为它不仅对生成输入以进行进一步计算很有用,而且还可以将它们整合到查询框架中。将这种情况保留为优先事项,我们开发了一种自动化工具Matscie(材料scince提取器),该工具可以从材料科学文献中提取相关信息,并制作一个结构化数据库,该数据库易于用于材料模拟。具体而言,我们从各种研究文章中提取物质细节,方法,代码,参数和结构。最后,我们创建了一个Web应用程序,用户可以在其中上传发布的文章,并查看/下载从此工具获得的信息,并可以为其个人用途创建自己的数据库。

The number of published articles in the field of materials science is growing rapidly every year. This comparatively unstructured data source, which contains a large amount of information, has a restriction on its re-usability, as the information needed to carry out further calculations using the data in it must be extracted manually. It is very important to obtain valid and contextually correct information from the online (offline) data, as it can be useful not only to generate inputs for further calculations, but also to incorporate them into a querying framework. Retaining this context as a priority, we have developed an automated tool, MatScIE (Material Scince Information Extractor) that can extract relevant information from material science literature and make a structured database that is much easier to use for material simulations. Specifically, we extract the material details, methods, code, parameters, and structure from the various research articles. Finally, we created a web application where users can upload published articles and view/download the information obtained from this tool and can create their own databases for their personal uses.

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