webchem: An R Package to Retrieve Chemical Information from the Web
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-consumin...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Foundation for Open Access Statistics
2020-05-01
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| Series: | Journal of Statistical Software |
| Subjects: | |
| Online Access: | https://www.jstatsoft.org/index.php/jss/article/view/2581 |
| _version_ | 1819089387040800768 |
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| author | Eduard Szöcs Tamás Stirling Eric R. Scott Andreas Scharmüller Ralf B. Schäfer |
| author_facet | Eduard Szöcs Tamás Stirling Eric R. Scott Andreas Scharmüller Ralf B. Schäfer |
| author_sort | Eduard Szöcs |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-21T22:07:07Z |
| format | Article |
| id | doaj.art-7d597b010c67416f8480701267b7dde7 |
| institution | Directory Open Access Journal |
| issn | 1548-7660 |
| language | English |
| last_indexed | 2024-12-21T22:07:07Z |
| publishDate | 2020-05-01 |
| publisher | Foundation for Open Access Statistics |
| record_format | Article |
| series | Journal of Statistical Software |
| spelling | doaj.art-7d597b010c67416f8480701267b7dde72022-12-21T18:48:40ZengFoundation for Open Access StatisticsJournal of Statistical Software1548-76602020-05-0193111710.18637/jss.v093.i131360webchem: An R Package to Retrieve Chemical Information from the WebEduard SzöcsTamás StirlingEric R. ScottAndreas ScharmüllerRalf B. SchäferA 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.https://www.jstatsoft.org/index.php/jss/article/view/2581ecotoxicologychemistrydata cleaningweb scrapingropensci |
| spellingShingle | Eduard Szöcs Tamás Stirling Eric R. Scott Andreas Scharmüller Ralf B. Schäfer webchem: An R Package to Retrieve Chemical Information from the Web Journal of Statistical Software ecotoxicology chemistry data cleaning web scraping ropensci |
| title | webchem: An R Package to Retrieve Chemical Information from the Web |
| title_full | webchem: An R Package to Retrieve Chemical Information from the Web |
| title_fullStr | webchem: An R Package to Retrieve Chemical Information from the Web |
| title_full_unstemmed | webchem: An R Package to Retrieve Chemical Information from the Web |
| title_short | webchem: An R Package to Retrieve Chemical Information from the Web |
| title_sort | webchem an r package to retrieve chemical information from the web |
| topic | ecotoxicology chemistry data cleaning web scraping ropensci |
| url | https://www.jstatsoft.org/index.php/jss/article/view/2581 |
| work_keys_str_mv | AT eduardszocs webchemanrpackagetoretrievechemicalinformationfromtheweb AT tamasstirling webchemanrpackagetoretrievechemicalinformationfromtheweb AT ericrscott webchemanrpackagetoretrievechemicalinformationfromtheweb AT andreasscharmuller webchemanrpackagetoretrievechemicalinformationfromtheweb AT ralfbschafer webchemanrpackagetoretrievechemicalinformationfromtheweb |