文章基本信息

标题：webchem: An R Package to Retrieve Chemical Information from the Web
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作者：Eduard Szöcs ; Tamás Stirling ; Eric R. Scott 等
期刊名称：Journal of Statistical Software
印刷版ISSN：1548-7660
电子版ISSN：1548-7660
出版年度：2020
卷号：93
期号：1
页码：1-17
DOI：10.18637/jss.v093.i13
出版社：University of California, Los Angeles
摘要：A wide range of chemical information is freely available online, including identifiers, experimental and predicted chemical properties. However, these data are scattered over various data sources and not easily accessible to researchers. Manual searching and downloading of such data is time-consuming and error-prone. We developed the open-source R package webchem that allows users to automatically query chemical data from currently 14 web sources. These cover a broad spectrum of information. The data are automatically imported into an R object and can directly be used in subsequent analyses. webchem enables easy, structured and reproducible data retrieval and usage from publicly available web sources. In addition, it facilitates data cleaning, identification and reporting of substances. Consequently, it reduces the time researchers need to spend on chemical data compilation.
关键词：ecotoxicology;chemistry;data cleaning;web scraping;rOpenSci.
其他关键词：ecotoxicology;chemistry;data cleaning;web scraping;rOpenSci